Vitas-M small molecule compound

2-[(1-{3-[(5E)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

Catalog ID
STK706512
SMILES COc1ccc(cc1)NC(=O)CSc1nc2c(n1C(=O)CCN1C(=S)S/C(=C/c3ccc(cc3)F)/C1=O)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 C29H23FN4O4S3 MW 606.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN4O4S3/c1-38-21-12-10-20(11-13-21)31-25(35)17-40-28-32-22-4-2-3-5-23(22)34(28)26(36)14-15-33-27(37)24(41-29(33)39)16-18-6-8-19(30)9-7-18/h2-13,16H,14-15,17H2,1H3,(H,31,35)/b24-16+
InChIKey
PESOFHBYFWOPKR-LFVJCYFKSA-N
Synonyms

(E)2((1(3(5(4fluorobenzylidene)4oxo2thioxothiazolidin3yl)propanoyl)1Hbenzo(d)imidazol2yl)thio)N(4methoxyphenyl)acetamide
2((1(3((5E)5(4fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)1Hbenzimidazol2yl)sulfanyl)N(4methoxyphenyl)acetamide
2(1(3((5E)5((4FLUOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYL)BENZIMIDAZOL2YL)SULFANYLN(4METHOXYPHENYL)ACETAMIDE
COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C(=O)CCN4C(=O)C(=CC5=CC=C(C=C5)F)SC4=S
COc1ccc(cc1)NC(=O)CSc1nc2c(n1C(=O)CCN1C(=S)SC(=Cc3ccc(cc3)F)C1=O)cccc2
InChI=1SC29H23FN4O4S3c13821121020(111321)3125(35)1740283222423523(22)34(28)26(36)14153327(37)24(4129(33)39)16186819(30)9718h21316H141517H21H3(H3135)b2416+
MFCD02992751
ZINC000097947146
ZINC97947146

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Available files

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