Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4H-chromen-4-one
Catalog ID
STK579287
SMILES OCCN1CCN(CC1)Cc1c(O)c(CC)cc2c1occ(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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-2-16-13-17-23(31)19(25-26-20-5-3-4-6-21(20)33-25)15-32-24(17)18(22(16)30)14-28-9-7-27(8-10-28)11-12-29/h3-6,13,15,29-30H,2,7-12,14H2,1H3InChIKey
UGZXBLCZBUCFHO-UHFFFAOYSA-NSynonyms
384361-82-43(13benzothiazol2yl)6ethyl7hydroxy8((4(2hydroxyethyl)piperazin1yl)methyl)4Hchromen4one
3(13BENZOTHIAZOL2YL)6ETHYL7HYDROXY8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)CHROMEN4ONE
3(13benzothiazol2yl)6ethyl8((4(2hydroxyethyl)piperazin1ium1yl)methyl)4oxochromen7olate
3(benzo(d)thiazol2yl)6ethyl7hydroxy8((4(2hydroxyethyl)piperazin1yl)methyl)4Hchromen4one
384361824
3BENZOTHIAZOL2YL6ETHYL7HYDROXY8((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)CHROMEN4ONE
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C(NH+)5CCN(CC5)CCO)(O)
InChI=1SC25H27N3O4Sc1216131723(31)19(252620534621(20)3325)153224(17)18(22(16)30)14289727(81028)111229h3613152930H271214H21H3
MFCD03146353
ZINC000020109630
ZINC20109630
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