Vitas-M small molecule compound

3,4-dichloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide

Catalog ID
STK044613
SMILES S=C(Nc1cc2nn(nc2cc1Cl)c1ccc(cc1)C)NC(=O)c1ccc(c(c1)Cl)Cl

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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 C21H14Cl3N5OS MW 490.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14Cl3N5OS/c1-11-2-5-13(6-3-11)29-27-18-9-16(24)17(10-19(18)28-29)25-21(31)26-20(30)12-4-7-14(22)15(23)8-12/h2-10H,1H3,(H2,25,26,30,31)
InChIKey
GBGRODBIWBYIMO-UHFFFAOYSA-N
Synonyms

34DICHLORON((6CHLORO2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
34DICHLORON((6CHLORO2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC21H14Cl3N5OSc1112513(6311)292718916(24)17(1019(18)2829)2521(31)2620(30)124714(22)15(23)812h210H1H3(H225263031)
MFCD03306994
S=C(Nc1cc2nn(nc2cc1Cl)c1ccc(cc1)C)NC(=O)c1ccc(c(c1)Cl)Cl
STK044613
ZINC000009425690
ZINC09425690
ZINC9425690

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Available files

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