Vitas-M small molecule compound
2-methyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK173343
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cc1)c1nc2c(o1)cc(cc2)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 C23H18N4O4S MW 446.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O4S/c1-13-6-11-18-20(12-13)31-22(25-18)15-7-9-16(10-8-15)24-23(32)26-21(28)17-4-3-5-19(14(17)2)27(29)30/h3-12H,1-2H3,(H2,24,26,28,32)InChIKey
KMXGLQHPODEQPN-UHFFFAOYSA-NSynonyms
2METHYLN((4(6METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
InChI=1SC23H18N4O4Sc1136111820(1213)3122(2518)157916(10815)2423(32)2621(28)1743519(14(17)2)27(29)30h312H12H3(H224262832)
MFCD03031622
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc(cc1)c1nc2c(o1)cc(cc2)C
ZINC000001180065
ZINC01180065
ZINC1180065
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