Vitas-M small molecule compound
N-{[2-(4-butylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK058280
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(cc2)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 C24H22N6O3S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N6O3S/c1-2-3-6-16-9-12-18(13-10-16)29-27-20-14-11-17(15-21(20)28-29)25-24(34)26-23(31)19-7-4-5-8-22(19)30(32)33/h4-5,7-15H,2-3,6H2,1H3,(H2,25,26,31,34)InChIKey
BJNRHTYUFDQSMV-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4(N+)(=O)(O)
CCCCc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC24H22N6O3Sc12361691218(131016)292720141117(1521(20)2829)2524(34)2623(31)19745822(19)30(32)33h45715H236H21H3(H225263134)
MFCD02821680
N((2(4BUTYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
N((2(4BUTYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
STK058280
ZINC000002991349
ZINC02991349
ZINC2991349
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