Vitas-M small molecule compound

N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanamide

Catalog ID
STK615641
SMILES O=C(C(N1C(=S)S/C(=C\C=C\c2ccccc2)/C1=O)C)NC1C=CS(=O)(=O)C1

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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 C19H18N2O4S3 MW 434.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4S3/c1-13(17(22)20-15-10-11-28(24,25)12-15)21-18(23)16(27-19(21)26)9-5-8-14-6-3-2-4-7-14/h2-11,13,15H,12H2,1H3,(H,20,22)/b8-5+,16-9-
InChIKey
KWGTVODLZUDOMP-FJGPGAONSA-N
Synonyms

2(5((2E)3PHENYLPROP2ENYLIDENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(11DIOXO(323DIHYDROTHIENYL))PROPANAMIDE
CC(C(=O)NC1CS(=O)(=O)C=C1)N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S
InChI=1SC19H18N2O4S3c113(17(22)2015101128(2425)1215)2118(23)16(2719(21)26)958146324714h2111315H12H21H3(H2022)b85+169
MFCD06793596
N(11dioxido23dihydrothiophen3yl)2((5Z)4oxo5((2E)3phenylprop2en1ylidene)2thioxo13thiazolidin3yl)propanamide
N(11dioxido23dihydrothiophen3yl)2((Z)4oxo5((E)3phenylallylidene)2thioxothiazolidin3yl)propanamide
N(11DIOXO23DIHYDROTHIOPHEN3YL)2((5Z)4OXO5((E)3PHENYLPROP2ENYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANAMIDE
O=C(C(N1C(=S)SC(=CC=Cc2ccccc2)C1=O)C)NC1C=CS(=O)(=O)C1
ZINC000009429848
ZINC000013575826

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Available files

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