Vitas-M small molecule compound

4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)butanamide

Catalog ID
STK994130
SMILES O=C(Nc1ccc(cc1)C)CCCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/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 C22H20N2O4S2 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S2/c1-14-4-7-16(8-5-14)23-20(25)3-2-10-24-21(26)19(30-22(24)29)12-15-6-9-17-18(11-15)28-13-27-17/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,25)/b19-12-
InChIKey
XICGRPCMEFKSKV-UNOMPAQXSA-N
Synonyms
300674-81-1
(Z)4(5(benzo(d)(13)dioxol5ylmethylene)4oxo2thioxothiazolidin3yl)N(ptolyl)butanamide
300674811
4((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(4METHYLPHENYL)BUTANAMIDE
4((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)N(4methylphenyl)butanamide
4(5(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(4METHYLPHENYL)BUTANAMIDE
CC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
InChI=1SC22H20N2O4S2c1144716(8514)2320(25)32102421(26)19(3022(24)29)1215691718(1115)28132717h491112H231013H21H3(H2325)b1912
MFCD01943365
O=C(Nc1ccc(cc1)C)CCCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000001189119
ZINC01189119
ZINC1189119

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Available files

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