Vitas-M small molecule compound
2-methyl-N-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK180559
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1ccc(cc1)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/c1-13-6-8-15(9-7-13)22-25-18-12-16(10-11-20(18)31-22)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
GMLPPHHKKGOZIE-UHFFFAOYSA-NSynonyms
2METHYLN((2(4METHYLPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
InChI=1SC23H18N4O4Sc1136815(9713)2225181216(101120(18)3122)2423(32)2621(28)1743519(14(17)2)27(29)30h312H12H3(H224262832)
MFCD03138326
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1ccc(cc1)C
ZINC000001182828
ZINC01182828
ZINC1182828
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