Vitas-M small molecule compound
3-(benzyloxy)-N-{[2-(4-butylphenyl)-6-chloro-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK389953
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)Cl)NC(=S)NC(=O)c1cccc(c1)OCc1ccccc1
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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 C31H28ClN5O2S MW 570.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN5O2S/c1-2-3-8-21-13-15-24(16-14-21)37-35-28-18-26(32)27(19-29(28)36-37)33-31(40)34-30(38)23-11-7-12-25(17-23)39-20-22-9-5-4-6-10-22/h4-7,9-19H,2-3,8,20H2,1H3,(H2,33,34,38,40)InChIKey
XPLVTRWEEONMMV-UHFFFAOYSA-NSynonyms
3(benzyloxy)N((2(4butylphenyl)6chloro2Hbenzotriazol5yl)carbamothioyl)benzamide
CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5
InChI=1SC31H28ClN5O2Sc123821131524(161421)3735281826(32)27(1929(28)3637)3331(40)3430(38)231171225(1723)39202295461022h47919H23820H21H3(H233343840)
MFCD07147599
N((2(4BUTYLPHENYL)6CHLOROBENZOTRIAZOL5YL)CARBAMOTHIOYL)3PHENYLMETHOXYBENZAMIDE
ZINC000101920803
ZINC101920803
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