Vitas-M small molecule compound
ethyl 2-({4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK532654
SMILES CCOC(=O)c1c(NC(=O)CCCN2C(=S)S/C(=C\c3ccc(cc3)CC)/C2=O)sc2c1CCCC2
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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 C27H30N2O4S3 MW 542.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4S3/c1-3-17-11-13-18(14-12-17)16-21-25(31)29(27(34)36-21)15-7-10-22(30)28-24-23(26(32)33-4-2)19-8-5-6-9-20(19)35-24/h11-14,16H,3-10,15H2,1-2H3,(H,28,30)/b21-16-InChIKey
JAZQMIADHIRDPM-PGMHBOJBSA-NSynonyms
315243-74-4(Z)ethyl2(4(5(4ethylbenzylidene)4oxo2thioxothiazolidin3yl)butanamido)4567tetrahydrobenzo(b)thiophene3carboxylate
315243744
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC
CCOC(=O)c1c(NC(=O)CCCN2C(=S)SC(=Cc3ccc(cc3)CC)C2=O)sc2c1CCCC2
ethyl2((4((5Z)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)butanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(4((5Z)5((4ethylphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H30N2O4S3c1317111318(141217)162125(31)29(27(34)3621)1571022(30)282423(26(32)3342)19856920(19)3524h111416H31015H212H3(H2830)b2116
MFCD01948335
ZINC000100208884
ZINC100208884
Check stock
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Check stock on Vitas-MAvailable files
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