Vitas-M small molecule compound
N-(3,4-dichlorophenyl)-2-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-1-carboxamide
Catalog ID
STL044383
SMILES Cc1cc(C)[nH]/c(=N\C2=NC3C(N2C(=O)Nc2ccc(c(c2)Cl)Cl)CCCC3)/n1
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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 C20H22Cl2N6O MW 433.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22Cl2N6O/c1-11-9-12(2)24-18(23-11)27-19-26-16-5-3-4-6-17(16)28(19)20(29)25-13-7-8-14(21)15(22)10-13/h7-10,16-17H,3-6H2,1-2H3,(H,25,29)(H,23,24,26,27)InChIKey
ASRFVHXSSDGGPS-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)NC2=NC3CCCCC3N2C(=O)NC4=CC(=C(C=C4)Cl)Cl)C
Cc1cc(C)(nH)c(=NC2=NC3C(N2C(=O)Nc2ccc(c(c2)Cl)Cl)CCCC3)n1
InChI=1SC20H22Cl2N6Oc111912(2)2418(2311)27192616534617(16)28(19)20(29)25137814(21)15(22)1013h7101617H36H212H3(H2529)(H23242627)
MFCD04077784
N(34dichlorophenyl)2(((2E)46dimethylpyrimidin2(1H)ylidene)amino)3a45677ahexahydro1Hbenzimidazole1carboxamide
N(34dichlorophenyl)2((46dimethylpyrimidin2yl)amino)3a45677ahexahydrobenzimidazole1carboxamide
ZINC000017196247
ZINC000018169220
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