Vitas-M small molecule compound

2-nitro-N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzamide

Catalog ID
STK844741
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2ccccc2[N+](=O)[O-])cc(c1OC)OC

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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 C20H17N3O7S2 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O7S2/c1-28-14-8-11(9-15(29-2)17(14)30-3)10-16-19(25)22(20(31)32-16)21-18(24)12-6-4-5-7-13(12)23(26)27/h4-10H,1-3H3,(H,21,24)/b16-10-
InChIKey
BXNZCJJHEYRUFA-YBEGLDIGSA-N
Synonyms
304861-25-4
(2NITROPHENYL)N(4OXO2THIOXO5((345TRIMETHOXYPHENYL)METHYLENE)(13THIAZOLIDIN3YL))CARBOXAMIDE
(Z)2nitroN(4oxo2thioxo5(345trimethoxybenzylidene)thiazolidin3yl)benzamide
2NITRON((5Z)4OXO2SULFANYLIDENE5((345TRIMETHOXYPHENYL)METHYLIDENE)13THIAZOLIDIN3YL)BENZAMIDE
2nitroN((5Z)4oxo2thioxo5(345trimethoxybenzylidene)13thiazolidin3yl)benzamide
304861254
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
COc1cc(C=C2SC(=S)N(C2=O)NC(=O)c2ccccc2(N+)(=O)(O))cc(c1OC)OC
InChI=1SC20H17N3O7S2c12814811(915(292)17(14)303)101619(25)22(20(31)3216)2118(24)12645713(12)23(26)27h410H13H3(H2124)b1610
MFCD01164643
ZINC000001818203
ZINC01818203
ZINC1818203

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Available files

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