Vitas-M small molecule compound
2-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-5-iodobenzamide
Catalog ID
STK050994
SMILES S=C(NC(=O)c1cc(I)ccc1Cl)Nc1cc2nn(nc2cc1Cl)c1ccc(cc1)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 C21H14Cl2IN5OS MW 582.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14Cl2IN5OS/c1-11-2-5-13(6-3-11)29-27-18-9-16(23)17(10-19(18)28-29)25-21(31)26-20(30)14-8-12(24)4-7-15(14)22/h2-10H,1H3,(H2,25,26,30,31)InChIKey
ZOGZFYGYVVTCBB-UHFFFAOYSA-NSynonyms
2CHLORON((6CHLORO2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)5IODOBENZAMIDE
2CHLORON((6CHLORO2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)5IODOBENZAMIDE
CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl
InChI=1SC21H14Cl2IN5OSc1112513(6311)292718916(23)17(1019(18)2829)2521(31)2620(30)14812(24)4715(14)22h210H1H3(H225263031)
MFCD03079805
N(2CHLORO5IODOBENZOYL)N(6CHLORO2(4METHYLPHENYL)2H123BENZOTRIAZOL5YL)THIOUREA
S=C(NC(=O)c1cc(I)ccc1Cl)Nc1cc2nn(nc2cc1Cl)c1ccc(cc1)C
STK050994
ZINC000002145100
ZINC02145100
ZINC2145100
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