Vitas-M small molecule compound
N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK173459
SMILES S=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(c1C)c1nc2c(o1)cccc2
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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/c1-13-14(21-23-17-9-3-5-12-19(17)30-21)8-6-10-16(13)24-22(31)25-20(27)15-7-2-4-11-18(15)26(28)29/h2-12H,1H3,(H2,24,25,27,31)InChIKey
WLIGYGUMWPMAHB-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O))C3=NC4=CC=CC=C4O3
InChI=1SC22H16N4O4Sc11314(2123179351219(17)3021)861016(13)2422(31)2520(27)157241118(15)26(28)29h212H1H3(H224252731)
MFCD02821789
N((3(13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)2NITROBENZAMIDE
S=C(NC(=O)c1ccccc1(N+)(=O)(O))Nc1cccc(c1C)c1nc2c(o1)cccc2
ZINC000001173663
ZINC01173663
ZINC1173663
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