Vitas-M small molecule compound
6-[(5Z)-5-(1-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK815287
SMILES O=C(CN1C(=O)/C(=C/2\SC(=S)N(C2=O)CCCCCC(=O)O)/c2c1cccc2)Nc1ccc(c(c1)C)C
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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 C27H27N3O5S2 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5S2/c1-16-11-12-18(14-17(16)2)28-21(31)15-30-20-9-6-5-8-19(20)23(25(30)34)24-26(35)29(27(36)37-24)13-7-3-4-10-22(32)33/h5-6,8-9,11-12,14H,3-4,7,10,13,15H2,1-2H3,(H,28,31)(H,32,33)/b24-23-InChIKey
BLVCVHFEINVKGS-VHXPQNKSSA-NSynonyms
624725-91-36((5Z)5(1(2((34dimethylphenyl)amino)2oxoethyl)2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5(1(2(34DIMETHYLANILINO)2OXOETHYL)2OXOINDOL3YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
624725913
CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCCCCC(=O)O)C2=O)C
InChI=1SC27H27N3O5S2c116111218(1417(16)2)2821(31)153020965819(20)23(25(30)34)2426(35)29(27(36)3724)137341022(32)33h5689111214H347101315H212H3(H2831)(H3233)b2423
MFCD04442608
O=C(CN1C(=O)C(=C2SC(=S)N(C2=O)CCCCCC(=O)O)c2c1cccc2)Nc1ccc(c(c1)C)C
ZINC000100893682
ZINC100893682
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