Vitas-M small molecule compound

N-{[2-(4-butylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-methoxy-3-methylbenzamide

Catalog ID
STK237224
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cccc(c1OC)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 C27H29N5O2S MW 487.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2S/c1-5-6-9-19-11-13-20(14-12-19)32-30-23-15-18(3)22(16-24(23)31-32)28-27(35)29-26(33)21-10-7-8-17(2)25(21)34-4/h7-8,10-16H,5-6,9H2,1-4H3,(H2,28,29,33,35)
InChIKey
LTRZHRQEUJFTRL-UHFFFAOYSA-N
Synonyms
639045-96-8
639045968
CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC)C
InChI=1SC27H29N5O2Sc156919111320(141219)3230231518(3)22(1624(23)3132)2827(35)2926(33)21107817(2)25(21)344h781016H569H214H3(H228293335)
MFCD03679775
N((2(4butylphenyl)6methyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)2methoxy3methylbenzamide
N((2(4butylphenyl)6methyl2Hbenzotriazol5yl)carbamothioyl)2methoxy3methylbenzamide
N((2(4BUTYLPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHOXY3METHYLBENZAMIDE
ZINC000001809611
ZINC01809611
ZINC1809611

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Available files

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