Vitas-M small molecule compound
(2E)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
Catalog ID
STK723157
SMILES COc1ccc(cc1CSc1nc2c([nH]1)cccc2)/C=C/C(=O)c1ccc2c(c1O)cccc2
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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 C28H22N2O3S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O3S/c1-33-26-15-11-18(16-20(26)17-34-28-29-23-8-4-5-9-24(23)30-28)10-14-25(31)22-13-12-19-6-2-3-7-21(19)27(22)32/h2-16,32H,17H2,1H3,(H,29,30)/b14-10+InChIKey
GUCDOSJNXVIKPO-GXDHUFHOSA-NSynonyms
377068-52-5(2E)3(3((1Hbenzimidazol2ylsulfanyl)methyl)4methoxyphenyl)1(1hydroxynaphthalen2yl)prop2en1one
(E)3(3(((1Hbenzo(d)imidazol2yl)thio)methyl)4methoxyphenyl)1(1hydroxynaphthalen2yl)prop2en1one
(E)3(3(1HBENZIMIDAZOL2YLSULFANYLMETHYL)4METHOXYPHENYL)1(1HYDROXYNAPHTHALEN2YL)PROP2EN1ONE
377068525
COC1=C(C=C(C=C1)C=CC(=O)C2=C(C3=CC=CC=C3C=C2)O)CSC4=NC5=CC=CC=C5N4
COc1ccc(cc1CSc1nc2c((nH)1)cccc2)C=CC(=O)c1ccc2c(c1O)cccc2
InChI=1SC28H22N2O3Sc13326151118(1620(26)1734282923845924(23)3028)101425(31)22131219623721(19)27(22)32h21632H17H21H3(H2930)b1410+
MFCD02983952
ZINC000008399115
ZINC08399115
ZINC8399115
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