Vitas-M small molecule compound

ethyl 4-({[(3Z)-3-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate

Catalog ID
STK813328
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1c2ccccc2/C(=C\2/SC(=S)N(C2=O)CCc2ccc(cc2)OC)/C1=O

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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 C31H27N3O6S2 MW 601.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O6S2/c1-3-40-30(38)20-10-12-21(13-11-20)32-25(35)18-34-24-7-5-4-6-23(24)26(28(34)36)27-29(37)33(31(41)42-27)17-16-19-8-14-22(39-2)15-9-19/h4-15H,3,16-18H2,1-2H3,(H,32,35)/b27-26-
InChIKey
AAODVAWSZREZQM-RQZHXJHFSA-N
Synonyms
617696-59-0
617696590
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCC5=CC=C(C=C5)OC)C2=O
CCOC(=O)c1ccc(cc1)NC(=O)CN1c2ccccc2C(=C2SC(=S)N(C2=O)CCc2ccc(cc2)OC)C1=O
ethyl4((((3Z)3(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetyl)amino)benzoate
ETHYL4((2((3Z)3(3(2(4METHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETYL)AMINO)BENZOATE
ETHYL4(2(3(3(4METHOXYPHENETHYL)4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)ACETAMIDO)BENZOATE
InChI=1SC31H27N3O6S2c134030(38)20101221(131120)3225(35)183424754623(24)26(28(34)36)2729(37)33(31(41)4227)17161981422(392)15919h415H31618H212H3(H3235)b2726
MFCD03535560
ZINC000100871328
ZINC100871328

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Available files

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