Vitas-M small molecule compound
4-butoxy-N-{[2-(4-butylphenyl)-6-chloro-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK390925
SMILES CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1cc2nn(nc2cc1Cl)c1ccc(cc1)CCCC
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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 C28H30ClN5O2S MW 536.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN5O2S/c1-3-5-7-19-8-12-21(13-9-19)34-32-25-17-23(29)24(18-26(25)33-34)30-28(37)31-27(35)20-10-14-22(15-11-20)36-16-6-4-2/h8-15,17-18H,3-7,16H2,1-2H3,(H2,30,31,35,37)InChIKey
UBXQROOALCXPQX-UHFFFAOYSA-NSynonyms
(4BUTOXYPHENYL)N(((2(4BUTYLPHENYL)6CHLORO(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
4butoxyN((2(4butylphenyl)6chloro2Hbenzotriazol5yl)carbamothioyl)benzamide
4BUTOXYN((2(4BUTYLPHENYL)6CHLOROBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)OCCCC
InChI=1SC28H30ClN5O2Sc13571981221(13919)3432251723(29)24(1826(25)3334)3028(37)3127(35)20101422(151120)3616642h8151718H3716H212H3(H230313537)
MFCD03837020
ZINC000100389659
ZINC100389659
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