Vitas-M small molecule compound
N-(2-methylphenyl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide
Catalog ID
STK918575
SMILES O=C(Nc1ccccc1C)CCCN1C(=S)S/C(=C\C=C\c2ccccc2)/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 C23H22N2O2S2 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O2S2/c1-17-9-5-6-13-19(17)24-21(26)15-8-16-25-22(27)20(29-23(25)28)14-7-12-18-10-3-2-4-11-18/h2-7,9-14H,8,15-16H2,1H3,(H,24,26)/b12-7+,20-14-InChIKey
DNSKSLLWLMQALZ-AYSCHJFGSA-NSynonyms
4(5((2E)3PHENYLPROP2ENYLIDENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(2METHYLPHENYL)BUTANAMIDE
CC1=CC=CC=C1NC(=O)CCCN2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S
InChI=1SC23H22N2O2S2c1179561319(17)2421(26)158162522(27)20(2923(25)28)1471218103241118h27914H81516H21H3(H2426)b127+2014
MFCD04075206
N(2methylphenyl)4((5Z)4oxo5((2E)3phenylprop2en1ylidene)2thioxo13thiazolidin3yl)butanamide
N(2METHYLPHENYL)4((5Z)4OXO5((E)3PHENYLPROP2ENYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANAMIDE
O=C(Nc1ccccc1C)CCCN1C(=S)SC(=CC=Cc2ccccc2)C1=O
ZINC000001263816
ZINC01263816
ZINC1263816
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