Vitas-M small molecule compound

N-{[2-(4-butylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}naphthalene-2-carboxamide

Catalog ID
STK730152
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccc2c(c1)cccc2

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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 C28H25N5OS MW 479.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5OS/c1-2-3-6-19-9-14-24(15-10-19)33-31-25-16-13-23(18-26(25)32-33)29-28(35)30-27(34)22-12-11-20-7-4-5-8-21(20)17-22/h4-5,7-18H,2-3,6H2,1H3,(H2,29,30,34,35)
InChIKey
FEGUNBRHXPALPZ-UHFFFAOYSA-N
Synonyms
445418-00-8
445418008
CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4
InChI=1SC28H25N5OSc12361991424(151019)333125161323(1826(25)3233)2928(35)3027(34)22121120745821(20)1722h45718H236H21H3(H229303435)
MFCD03270888
N((2(4butylphenyl)2Hbenzo(d)(123)triazol5yl)carbamothioyl)2naphthamide
N((2(4butylphenyl)2Hbenzotriazol5yl)carbamothioyl)naphthalene2carboxamide
N((2(4BUTYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)NAPHTHALENE2CARBOXAMIDE
N(2(4BUTYLPHENYL)2H123BENZOTRIAZOL5YL)N(2NAPHTHOYL)THIOUREA
ZINC000002145332
ZINC02145332
ZINC2145332

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Available files

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