Vitas-M small molecule compound
4-{[(2-methoxy-4-nitrophenyl)carbamothioyl]amino}-N-phenylbenzenesulfonamide
Catalog ID
STK495221
SMILES COc1cc(ccc1NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)[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 C20H18N4O5S2 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S2/c1-29-19-13-16(24(25)26)9-12-18(19)22-20(30)21-14-7-10-17(11-8-14)31(27,28)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H2,21,22,30)InChIKey
CACBCUFWIANUCQ-UHFFFAOYSA-NSynonyms
1(2methoxy4nitrophenyl)3(4(phenylsulfamoyl)phenyl)thiourea
4(((2methoxy4nitrophenyl)carbamothioyl)amino)Nphenylbenzenesulfonamide
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3
COc1cc(ccc1NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)(N+)(=O)(O)
InChI=1SC20H18N4O5S2c129191316(24(25)26)91218(19)2220(30)211471017(11814)31(2728)23155324615h21323H1H3(H2212230)
MFCD07032708
ZINC000020228510
ZINC20228510
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