Vitas-M small molecule compound

N-{[2-(4-butylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-(2,4-dimethylphenoxy)acetamide

Catalog ID
STK237223
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)COc1ccc(cc1C)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 C28H31N5O2S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2S/c1-5-6-7-21-9-11-22(12-10-21)33-31-24-15-19(3)23(16-25(24)32-33)29-28(36)30-27(34)17-35-26-13-8-18(2)14-20(26)4/h8-16H,5-7,17H2,1-4H3,(H2,29,30,34,36)
InChIKey
RKWKCNPRWVRHCH-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=C(C=C(C=C4)C)C)C
InChI=1SC28H31N5O2Sc15672191122(121021)3331241519(3)23(1625(24)3233)2928(36)3027(34)17352613818(2)1420(26)4h816H5717H214H3(H229303436)
MFCD03838971
N((2(4butylphenyl)6methyl2Hbenzotriazol5yl)carbamothioyl)2(24dimethylphenoxy)acetamide
N((2(4BUTYLPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)2(24DIMETHYLPHENOXY)ACETAMIDE
N(2(4BUTYLPHENYL)6METHYL2H123BENZOTRIAZOL5YL)N((24DIMETHYLPHENOXY)ACETYL)THIOUREA
ZINC000008437803
ZINC08437803
ZINC8437803

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.