Vitas-M small molecule compound
4-tert-butyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK126088
SMILES S=C(Nc1cc(ccc1C)[N+](=O)[O-])NC(=O)c1ccc(cc1)C(C)(C)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 C19H21N3O3S MW 371.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3S/c1-12-5-10-15(22(24)25)11-16(12)20-18(26)21-17(23)13-6-8-14(9-7-13)19(2,3)4/h5-11H,1-4H3,(H2,20,21,23,26)InChIKey
YPTJVSGKZZNCIM-UHFFFAOYSA-NSynonyms
4TERTBUTYLN((2METHYL5NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI=1SC19H21N3O3Sc11251015(22(24)25)1116(12)2018(26)2117(23)136814(9713)19(23)4h511H14H3(H220212326)
MFCD03590022
S=C(Nc1cc(ccc1C)(N+)(=O)(O))NC(=O)c1ccc(cc1)C(C)(C)C
ZINC000001128694
ZINC01128694
ZINC1128694
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