Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
Catalog ID
STK568210
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccc(cc1)C(C)(C)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 C27H27N3O4S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S/c1-27(2,3)19-8-5-17(6-9-19)25-28-29-26(30(25)20-10-12-21(34-4)13-11-20)35-16-24(33)18-7-14-22(31)23(32)15-18/h5-15,31-32H,16H2,1-4H3InChIKey
FDJPAGZUBVPEHU-UHFFFAOYSA-NSynonyms
714920-84-01(34DIHYDROXYPHENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)1(34dihydroxyphenyl)ethanone
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHANONE
2((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(34dihydroxyphenyl)ethanone
714920840
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC(=C(C=C4)O)O
InChI=1SC27H27N3O4Sc127(23)198517(6919)25282926(30(25)20101221(344)131120)351624(33)1871422(31)23(32)1518h5153132H16H214H3
MFCD03223958
ZINC000001272221
ZINC01272221
ZINC1272221
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