Vitas-M small molecule compound
(2E)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK540728
SMILES COc1ccc(cc1)C(=O)/C=C/c1ccc(c(c1)CSc1nc2c([nH]1)cccc2)OC
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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 C25H22N2O3S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O3S/c1-29-20-11-9-18(10-12-20)23(28)13-7-17-8-14-24(30-2)19(15-17)16-31-25-26-21-5-3-4-6-22(21)27-25/h3-15H,16H2,1-2H3,(H,26,27)/b13-7+InChIKey
CXGDABXXZBWRFX-NTUHNPAUSA-NSynonyms
(2E)3(3((1Hbenzimidazol2ylsulfanyl)methyl)4methoxyphenyl)1(4methoxyphenyl)prop2en1one
(E)3(3(((1Hbenzo(d)imidazol2yl)thio)methyl)4methoxyphenyl)1(4methoxyphenyl)prop2en1one
(E)3(3(1HBENZIMIDAZOL2YLSULFANYLMETHYL)4METHOXYPHENYL)1(4METHOXYPHENYL)PROP2EN1ONE
COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4N3
COc1ccc(cc1)C(=O)C=Cc1ccc(c(c1)CSc1nc2c((nH)1)cccc2)OC
InChI=1SC25H22N2O3Sc1292011918(101220)23(28)1371781424(302)19(1517)1631252621534622(21)2725h315H16H212H3(H2627)b137+
MFCD02984500
ZINC000009057718
ZINC09057718
ZINC9057718
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