Vitas-M small molecule compound

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

Catalog ID
STK039906
SMILES COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1C

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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 C23H20ClN5O2S MW 465.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O2S/c1-13-6-4-5-7-16(13)22(30)26-23(32)25-18-12-20-19(10-14(18)2)27-29(28-20)15-8-9-21(31-3)17(24)11-15/h4-12H,1-3H3,(H2,25,26,30,32)
InChIKey
SVUPCIQFLOZSIX-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC(=C(C=C4)OC)Cl
COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1C
InChI=1SC23H20ClN5O2Sc113645716(13)22(30)2623(32)2518122019(1014(18)2)2729(2820)158921(313)17(24)1115h412H13H3(H225263032)
MFCD02923325
N((2(3CHLORO4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHYLBENZAMIDE
N((2(3CHLORO4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHYLBENZAMIDE
STK039906
ZINC000001182148
ZINC01182148
ZINC1182148

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Available files

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