Vitas-M small molecule compound
4-methoxy-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK173645
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cccc(c1)c1nc2c(o1)ccc(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 C23H18N4O5S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5S/c1-13-6-8-19-17(10-13)25-22(32-19)15-4-3-5-16(11-15)24-23(33)26-21(28)14-7-9-20(31-2)18(12-14)27(29)30/h3-12H,1-2H3,(H2,24,26,28,33)InChIKey
MZDODQZBSNCNEE-UHFFFAOYSA-NSynonyms
4METHOXYN((3(5METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cccc(c1)c1nc2c(o1)ccc(c2)C
InChI=1SC23H18N4O5Sc113681917(1013)2522(3219)1543516(1115)2423(33)2621(28)147920(312)18(1214)27(29)30h312H12H3(H224262833)
MFCD02810878
ZINC000002982212
ZINC02982212
ZINC2982212
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