Vitas-M small molecule compound
N-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK180561
SMILES S=C(NC(=O)c1ccccc1[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 C22H16N4O4S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O4S/c1-13-6-8-14(9-7-13)21-24-17-12-15(10-11-19(17)30-21)23-22(31)25-20(27)16-4-2-3-5-18(16)26(28)29/h2-12H,1H3,(H2,23,25,27,31)InChIKey
DEJMJWGOGZPSKL-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC22H16N4O4Sc1136814(9713)2124171215(101119(17)3021)2322(31)2520(27)16423518(16)26(28)29h212H1H3(H223252731)
MFCD02821709
N((2(4METHYLPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
S=C(NC(=O)c1ccccc1(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1ccc(cc1)C
ZINC000001174028
ZINC01174028
ZINC1174028
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