Vitas-M small molecule compound
N-{[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-methyl-3-nitrobenzamide
Catalog ID
STK180438
SMILES COc1ccc(cc1)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])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/c1-13-3-4-15(11-19(13)27(29)30)21(28)26-23(33)24-16-7-10-20-18(12-16)25-22(32-20)14-5-8-17(31-2)9-6-14/h3-12H,1-2H3,(H2,24,26,28,33)InChIKey
RBCORYJCKZWPPN-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)OC)(N+)(=O)(O)
COc1ccc(cc1)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC23H18N4O5Sc1133415(1119(13)27(29)30)21(28)2623(33)24167102018(1216)2522(3220)145817(312)9614h312H12H3(H224262833)
MFCD02631784
N((2(4METHOXYPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)4METHYL3NITROBENZAMIDE
ZINC000002985356
ZINC02985356
ZINC2985356
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