Vitas-M small molecule compound

4-[(5Z)-5-(1-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STK814994
SMILES O=C(Nc1c(C)cccc1C)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)CCCC(=O)O)/c2c1cccc2

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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 C25H23N3O5S2 MW 509.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S2/c1-14-7-5-8-15(2)21(14)26-18(29)13-28-17-10-4-3-9-16(17)20(23(28)32)22-24(33)27(25(34)35-22)12-6-11-19(30)31/h3-5,7-10H,6,11-13H2,1-2H3,(H,26,29)(H,30,31)/b22-20-
InChIKey
FVZYABNJRFWIDC-XDOYNYLZSA-N
Synonyms

4((5Z)5(1(2((26dimethylphenyl)amino)2oxoethyl)2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5(1(2(26DIMETHYLANILINO)2OXOETHYL)2OXOINDOL3YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCCC(=O)O)C2=O
InChI=1SC25H23N3O5S2c11475815(2)21(14)2618(29)1328171043916(17)20(23(28)32)2224(33)27(25(34)3522)1261119(30)31h35710H61113H212H3(H2629)(H3031)b2220
MFCD04442455
O=C(Nc1c(C)cccc1C)CN1C(=O)C(=C2SC(=S)N(C2=O)CCCC(=O)O)c2c1cccc2
ZINC000016731974
ZINC16731974

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Available files

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