Vitas-M small molecule compound
3,5-dimethyl-N-[(4-methyl-2-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK336414
SMILES S=C(Nc1ccc(cc1[N+](=O)[O-])C)NC(=O)c1cc(C)cc(c1)C
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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 C17H17N3O3S MW 343.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3S/c1-10-4-5-14(15(9-10)20(22)23)18-17(24)19-16(21)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H2,18,19,21,24)InChIKey
OFKIIYIDTVMKQY-UHFFFAOYSA-NSynonyms
1(35DIMETHYLBENZOYL)3(4METHYL2NITROPHENYL)THIOUREA
35DIMETHYLN((4METHYL2NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)C)C)(N+)(=O)(O)
InChI=1SC17H17N3O3Sc1104514(15(910)20(22)23)1817(24)1916(21)13711(2)612(3)813h49H13H3(H218192124)
MFCD05129337
S=C(Nc1ccc(cc1(N+)(=O)(O))C)NC(=O)c1cc(C)cc(c1)C
ZINC000004999094
ZINC04999094
ZINC4999094
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