Vitas-M small molecule compound
(2E)-3-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Catalog ID
STK023076
SMILES COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)/C=C/C(=O)c1ccccc1O
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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 C27H27ClO4 MW 450.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClO4/c1-17(2)22-15-23(28)18(3)13-27(22)32-16-20-14-19(10-12-26(20)31-4)9-11-25(30)21-7-5-6-8-24(21)29/h5-15,17,29H,16H2,1-4H3/b11-9+InChIKey
AXTDJIUHCKYHJA-PKNBQFBNSA-NSynonyms
(2E)3(3((4CHLORO5METHYL2(METHYLETHYL)PHENOXY)METHYL)4METHOXYPHENYL)1(2HYDROXYPHENYL)PROP2EN1ONE
(2E)3(3((4CHLORO5METHYL2(PROPAN2YL)PHENOXY)METHYL)4METHOXYPHENYL)1(2HYDROXYPHENYL)PROP2EN1ONE
(E)3(3((4CHLORO5METHYL2PROPAN2YLPHENOXY)METHYL)4METHOXYPHENYL)1(2HYDROXYPHENYL)PROP2EN1ONE
CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C=CC(=O)C3=CC=CC=C3O)OC
COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)C=CC(=O)c1ccccc1O
InChI=1SC27H27ClO4c117(2)221523(28)18(3)1327(22)3216201419(101226(20)314)91125(30)21756824(21)29h5151729H16H214H3b119+
MFCD03560892
STK023076
ZINC000012445196
ZINC12445196
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