Vitas-M small molecule compound
N-{[2-(4-ethylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK294902
SMILES CCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]
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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 C23H20N6O3S MW 460.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6O3S/c1-3-15-8-10-16(11-9-15)28-26-19-12-14(2)18(13-20(19)27-28)24-23(33)25-22(30)17-6-4-5-7-21(17)29(31)32/h4-13H,3H2,1-2H3,(H2,24,25,30,33)InChIKey
VWKFECDKYNYMJH-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4(N+)(=O)(O))C
CCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC23H20N6O3Sc131581016(11915)2826191214(2)18(1320(19)2728)2423(33)2522(30)17645721(17)29(31)32h413H3H212H3(H224253033)
MFCD06627959
N((2(4ethylphenyl)6methyl2Hbenzotriazol5yl)carbamothioyl)2nitrobenzamide
N((2(4ETHYLPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
ZINC000001066116
ZINC01066116
ZINC1066116
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