Vitas-M small molecule compound
N-{[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK173328
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cc(ccc1C)c1nc2c(o1)cccc2
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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 C23H18N4O4S MW 446.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O4S/c1-13-10-11-15(22-24-17-7-3-4-9-20(17)31-22)12-18(13)25-23(32)26-21(28)16-6-5-8-19(14(16)2)27(29)30/h3-12H,1-2H3,(H2,25,26,28,32)InChIKey
BOPBWHVZDSFNGB-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
InChI=1SC23H18N4O4Sc113101115(222417734920(17)3122)1218(13)2523(32)2621(28)1665819(14(16)2)27(29)30h312H12H3(H225262832)
MFCD03031343
N(((5BENZOXAZOL2YL2METHYLPHENYL)AMINO)THIOXOMETHYL)(2METHYL3NITROPHENYL)CARBOXAMIDE
N((5(13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1cc(ccc1C)c1nc2c(o1)cccc2
ZINC000001179763
ZINC01179763
ZINC1179763
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