Vitas-M small molecule compound
4-(4-acetylphenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide
Catalog ID
STK455506
SMILES COc1cc(ccc1NC(=S)N1CCN(CC1)c1ccc(cc1)C(=O)C)[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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-14(25)15-3-5-16(6-4-15)22-9-11-23(12-10-22)20(29)21-18-8-7-17(24(26)27)13-19(18)28-2/h3-8,13H,9-12H2,1-2H3,(H,21,29)InChIKey
OBRSINZWTMMOEO-UHFFFAOYSA-NSynonyms
1ACETYL4(4(((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)PIPERAZINYL)BENZENE
4(4acetylphenyl)N(2methoxy4nitrophenyl)piperazine1carbothioamide
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)(N+)(=O)(O))OC
COc1cc(ccc1NC(=S)N1CCN(CC1)c1ccc(cc1)C(=O)C)(N+)(=O)(O)
InChI=1SC20H22N4O4Sc114(25)153516(6415)2291123(121022)20(29)21188717(24(26)27)1319(18)282h3813H912H212H3(H2129)
MFCD04228176
ZINC000005041348
ZINC05041348
ZINC5041348
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