Vitas-M small molecule compound
N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK173025
SMILES S=C(NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)c1nc2c(o1)c(C)cc(c2)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/c1-13-10-14(2)20-19(11-13)25-22(31-20)15-6-8-17(9-7-15)24-23(32)26-21(28)16-4-3-5-18(12-16)27(29)30/h3-12H,1-2H3,(H2,24,26,28,32)InChIKey
QNWFLQCDPAWDGB-UHFFFAOYSA-NSynonyms
CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)(N+)(=O)(O))C
InChI=1SC23H18N4O4Sc1131014(2)2019(1113)2522(3120)156817(9715)2423(32)2621(28)1643518(1216)27(29)30h312H12H3(H224262832)
MFCD02631841
N((4(57DIMETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1)(N+)(=O)(O))Nc1ccc(cc1)c1nc2c(o1)c(C)cc(c2)C
ZINC000001172497
ZINC01172497
ZINC1172497
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