Vitas-M small molecule compound
N-{[2-(4-butylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-3,5-dimethylbenzamide
Catalog ID
STK236546
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cc(C)cc(c1)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 C27H29N5OS MW 471.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5OS/c1-5-6-7-20-8-10-22(11-9-20)32-30-24-15-19(4)23(16-25(24)31-32)28-27(34)29-26(33)21-13-17(2)12-18(3)14-21/h8-16H,5-7H2,1-4H3,(H2,28,29,33,34)InChIKey
CEVVMFAMNCDWSF-UHFFFAOYSA-NSynonyms
(35DIMETHYLPHENYL)N(((2(4BUTYLPHENYL)6METHYL(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4)C)C)C
InChI=1SC27H29N5OSc15672081022(11920)3230241519(4)23(1625(24)3132)2827(34)2926(33)211317(2)1218(3)1421h816H57H214H3(H228293334)
MFCD03837170
N((2(4butylphenyl)6methyl2Hbenzotriazol5yl)carbamothioyl)35dimethylbenzamide
N((2(4BUTYLPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)35DIMETHYLBENZAMIDE
ZINC000008921310
ZINC08921310
ZINC8921310
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