Vitas-M small molecule compound
N-{[2-(4-butylphenyl)-6-chloro-2H-benzotriazol-5-yl]carbamothioyl}-3-propoxybenzamide
Catalog ID
STK236516
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)Cl)NC(=S)NC(=O)c1cccc(c1)OCCC
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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 C27H28ClN5O2S MW 522.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN5O2S/c1-3-5-7-18-10-12-20(13-11-18)33-31-24-16-22(28)23(17-25(24)32-33)29-27(36)30-26(34)19-8-6-9-21(15-19)35-14-4-2/h6,8-13,15-17H,3-5,7,14H2,1-2H3,(H2,29,30,34,36)InChIKey
IKPNZKICXMSMGW-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=CC=C4)OCCC
InChI=1SC27H28ClN5O2Sc135718101220(131118)3331241622(28)23(1725(24)3233)2927(36)3026(34)1986921(1519)351442h68131517H35714H212H3(H229303436)
MFCD05847621
N(((2(4BUTYLPHENYL)6CHLORO(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)(3PROPOXYPHENYL)CARBOXAMIDE
N((2(4butylphenyl)6chloro2Hbenzotriazol5yl)carbamothioyl)3propoxybenzamide
N((2(4BUTYLPHENYL)6CHLOROBENZOTRIAZOL5YL)CARBAMOTHIOYL)3PROPOXYBENZAMIDE
ZINC000009190239
ZINC09190239
ZINC9190239
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