Vitas-M small molecule compound
ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
Catalog ID
STK888146
SMILES CCOC(=O)c1oc2c(CN3CCCC(C3)(C)C)c(O)c(cc2c(=O)c1c1nc2c(s1)cccc2)CC
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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 C29H32N2O5S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5S/c1-5-17-14-18-24(33)22(27-30-20-10-7-8-11-21(20)37-27)26(28(34)35-6-2)36-25(18)19(23(17)32)15-31-13-9-12-29(3,4)16-31/h7-8,10-11,14,32H,5-6,9,12-13,15-16H2,1-4H3InChIKey
DVDWQAYAVIFKGO-UHFFFAOYSA-NSynonyms
488794-61-23(13BENZOTHIAZOL2YL)8((33DIMETHYLPIPERIDIN1IUM1YL)METHYL)2ETHOXYCARBONYL6ETHYL4OXOCHROMEN7OLATE
488794612
CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)C(NH+)5CCCC(C5)(C)C)(O)
ethyl3(13benzothiazol2yl)8((33dimethylpiperidin1yl)methyl)6ethyl7hydroxy4oxo4Hchromene2carboxylate
ETHYL3(13BENZOTHIAZOL2YL)8((33DIMETHYLPIPERIDIN1YL)METHYL)6ETHYL7HYDROXY4OXOCHROMENE2CARBOXYLATE
ethyl3(benzo(d)thiazol2yl)8((33dimethylpiperidin1yl)methyl)6ethyl7hydroxy4oxo4Hchromene2carboxylate
ETHYL3BENZOTHIAZOL2YL8((33DIMETHYLPIPERIDYL)METHYL)6ETHYL7HYDROXY4OXOCHROMENE2CARBOXYLATE
InChI=1SC29H32N2O5Sc1517141824(33)22(27302010781121(20)3727)26(28(34)3562)3625(18)19(23(17)32)15311391229(34)1631h7810111432H56912131516H214H3
MFCD03292711
ZINC000001791629
ZINC1791629
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