Vitas-M small molecule compound

N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}biphenyl-4-carboxamide

Catalog ID
STK000020
SMILES COc1ccc(cc1)n1nc2c(n1)cc(c(c2)NC(=S)NC(=O)c1ccc(cc1)c1ccccc1)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 C28H23N5O2S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O2S/c1-18-16-25-26(32-33(31-25)22-12-14-23(35-2)15-13-22)17-24(18)29-28(36)30-27(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-17H,1-2H3,(H2,29,30,34,36)
InChIKey
DJQUDJBCBOHYMM-UHFFFAOYSA-N
Synonyms

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC
COc1ccc(cc1)n1nc2c(n1)cc(c(c2)NC(=S)NC(=O)c1ccc(cc1)c1ccccc1)C
InChI=1SC28H23N5O2Sc118162526(3233(3125)22121423(352)151322)1724(18)2928(36)3027(34)2110820(91121)196435719h317H12H3(H229303436)
MFCD03030746
N((2(4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BIPHENYL4CARBOXAMIDE
N((2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)4PHENYLBENZAMIDE
STK000020
ZINC000002852118
ZINC02852118
ZINC2852118

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Available files

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