Vitas-M small molecule compound

3,4-dimethoxy-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}benzamide

Catalog ID
STK099095
SMILES COc1cc(ccc1OC)C(=O)NC(=S)Nc1scc(n1)c1cccc(c1)[N+](=O)[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 C19H16N4O5S2 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5S2/c1-27-15-7-6-12(9-16(15)28-2)17(24)21-18(29)22-19-20-14(10-30-19)11-4-3-5-13(8-11)23(25)26/h3-10H,1-2H3,(H2,20,21,22,24,29)
InChIKey
KTWPFTCHAUVGLB-UHFFFAOYSA-N
Synonyms

(34DIMETHOXYPHENYL)N(((4(3NITROPHENYL)(13THIAZOL2YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
1(34DIMETHOXYBENZOYL)3(4(3NITROPHENYL)THIAZOL2YL)THIOUREA
34DIMETHOXYN((4(3NITROPHENYL)13THIAZOL2YL)CARBAMOTHIOYL)BENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))OC
COc1cc(ccc1OC)C(=O)NC(=S)Nc1scc(n1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H16N4O5S2c127157612(916(15)282)17(24)2118(29)22192014(103019)1143513(811)23(25)26h310H12H3(H22021222429)
MFCD02809978
STK099095
ZINC000002978821
ZINC02978821
ZINC2978821

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Available files

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