Vitas-M small molecule compound
methyl (2E)-4-{[4-(4-chlorophenyl)-1-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}but-2-enoate
Catalog ID
STK665712
SMILES COC(=O)/C=C/CSc1nc(cn1c1ccc(cc1)C)c1ccc(cc1)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 C21H19ClN2O2S MW 398.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O2S/c1-15-5-11-18(12-6-15)24-14-19(16-7-9-17(22)10-8-16)23-21(24)27-13-3-4-20(25)26-2/h3-12,14H,13H2,1-2H3/b4-3+InChIKey
AXSFVBJPKVUPEY-ONEGZZNKSA-NSynonyms
CC1=CC=C(C=C1)N2C=C(N=C2SCC=CC(=O)OC)C3=CC=C(C=C3)Cl
COC(=O)C=CCSc1nc(cn1c1ccc(cc1)C)c1ccc(cc1)Cl
InChI=1SC21H19ClN2O2Sc11551118(12615)241419(167917(22)10816)2321(24)27133420(25)262h31214H13H212H3b43+
methyl(2E)4((4(4chlorophenyl)1(4methylphenyl)1Himidazol2yl)sulfanyl)but2enoate
methyl(E)4(4(4chlorophenyl)1(4methylphenyl)imidazol2yl)sulfanylbut2enoate
MFCD09064878
ZINC000012462168
ZINC12462168
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