Vitas-M small molecule compound
ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-4H-chromene-2-carboxylate
Catalog ID
STK888152
SMILES OCCN1CCN(CC1)Cc1c(O)c(CC)cc2c1oc(C(=O)OCC)c(c2=O)c1nc2c(s1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H31N3O6S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6S/c1-3-17-15-18-24(34)22(27-29-20-7-5-6-8-21(20)38-27)26(28(35)36-4-2)37-25(18)19(23(17)33)16-31-11-9-30(10-12-31)13-14-32/h5-8,15,32-33H,3-4,9-14,16H2,1-2H3InChIKey
IRKPCWCTALNLAP-UHFFFAOYSA-NSynonyms
385393-79-33(13BENZOTHIAZOL2YL)2ETHOXYCARBONYL6ETHYL8((4(2HYDROXYETHYL)PIPERAZIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
3(13BENZOTHIAZOL2YL)6ETHYL7HYDROXY8((4(2HYDROXYETHYL)1PIPERAZINYL)METHYL)4OXO1BENZOPYRAN2CARBOXYLICACIDETHYLESTER
3(13BENZOTHIAZOL2YL)6ETHYL7HYDROXY8((4(2HYDROXYETHYL)PIPERAZINO)METHYL)4KETOCHROMENE2CARBOXYLICACIDETHYLESTER
385393793
CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCN(CC5)CCO)O
ETHYL3(13BENZOTHIAZOL2YL)6ETHYL7HYDROXY8((4(2HYDROXYETHYL)1PIPERAZINYL)METHYL)4OXO4HCHROMENE2CARBOXYLATE
ethyl3(13benzothiazol2yl)6ethyl7hydroxy8((4(2hydroxyethyl)piperazin1yl)methyl)4oxo4Hchromene2carboxylate
ETHYL3(13BENZOTHIAZOL2YL)6ETHYL7HYDROXY8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)4OXOCHROMENE2CARBOXYLATE
ETHYL3(13BENZOTHIAZOL2YL)6ETHYL8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)7OXIDANYL4OXIDANYLIDENECHROMENE2CARBOXYLATE
ethyl3(benzo(d)thiazol2yl)6ethyl7hydroxy8((4(2hydroxyethyl)piperazin1yl)methyl)4oxo4Hchromene2carboxylate
ETHYL3BENZOTHIAZOL2YL6ETHYL7HYDROXY8((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4OXOCHROMENE2CARBOXYLATE
InChI=1SC28H31N3O6Sc1317151824(34)22(272920756821(20)3827)26(28(35)3642)3725(18)19(23(17)33)163111930(101231)131432h58153233H3491416H212H3
MFCD03285849
ZINC000022854535
ZINC22854535
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