Vitas-M small molecule compound
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Catalog ID
STK021793
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1c(C)cc(cc1C)Br
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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 C17H16BrN3O4S MW 438.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN3O4S/c1-9-6-12(18)7-10(2)15(9)19-17(26)20-16(22)11-4-5-14(25-3)13(8-11)21(23)24/h4-8H,1-3H3,(H2,19,20,22,26)InChIKey
RBAQFDWYNVKSBQ-UHFFFAOYSA-NSynonyms
1(4BROMO26DIMETHYLPHENYL)3(4METHOXY3NITROBENZOYL)THIOUREA
CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O))C)Br
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1c(C)cc(cc1C)Br
InChI=1SC17H16BrN3O4Sc19612(18)710(2)15(9)1917(26)2016(22)114514(253)13(811)21(23)24h48H13H3(H219202226)
MFCD02578153
N(((4BROMO26DIMETHYLPHENYL)AMINO)THIOXOMETHYL)(4METHOXY3NITROPHENYL)CARBOXAMIDE
N((4BROMO26DIMETHYLPHENYL)CARBAMOTHIOYL)4METHOXY3NITROBENZAMIDE
N(4BROMO26DIMETHYLPHENYL)N(3NITRO4METHOXYBENZOYL)THIOUREA
STK021793
ZINC000000881990
ZINC00881990
ZINC881990
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