Vitas-M small molecule compound

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

Catalog ID
STK702901
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1c2ccccc2/C(=C\2/SC(=S)N(C2=O)CCc2ccc(c(c2)OC)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 C32H29N3O7S2 MW 631.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O7S2/c1-4-42-31(39)20-10-12-21(13-11-20)33-26(36)18-35-23-8-6-5-7-22(23)27(29(35)37)28-30(38)34(32(43)44-28)16-15-19-9-14-24(40-2)25(17-19)41-3/h5-14,17H,4,15-16,18H2,1-3H3,(H,33,36)/b28-27-
InChIKey
FENKIGKTPHBOED-DQSJHHFOSA-N
Synonyms

(Z)ethyl4(2(3(3(34dimethoxyphenethyl)4oxo2thioxothiazolidin5ylidene)2oxoindolin1yl)acetamido)benzoate
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)OC)C2=O
CCOC(=O)c1ccc(cc1)NC(=O)CN1c2ccccc2C(=C2SC(=S)N(C2=O)CCc2ccc(c(c2)OC)OC)C1=O
ethyl4((((3Z)3(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetyl)amino)benzoate
ETHYL4((2((3Z)3(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETYL)AMINO)BENZOATE
InChI=1SC32H29N3O7S2c144231(39)20101221(131120)3326(36)183523865722(23)27(29(35)37)2830(38)34(32(43)4428)16151991424(402)25(1719)413h51417H4151618H213H3(H3336)b2827
MFCD02998506
ZINC000150400329
ZINC150400329

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.