Vitas-M small molecule compound
4-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Catalog ID
STK383841
SMILES COc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(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 C31H34N2O4S MW 530.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O4S/c1-5-31(2,3)21-11-16-24-25(18-21)38-30-27(24)29(35)32-28(33-30)20-9-14-23(15-10-20)37-26(34)17-8-19-6-12-22(36-4)13-7-19/h6-10,12-15,17,21,28,33H,5,11,16,18H2,1-4H3,(H,32,35)/b17-8+InChIKey
JCAGIOQRUVJUOJ-CAOOACKPSA-NSynonyms
(4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)(E)3(4methoxyphenyl)prop2enoate
4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl(2E)3(4methoxyphenyl)prop2enoate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C=CC5=CC=C(C=C5)OC
COc1ccc(cc1)C=CC(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(C)C
InChI=1SC31H34N2O4Sc1531(23)2111162425(1821)383027(24)29(35)3228(3330)2091423(151020)3726(34)1781961222(364)13719h610121517212833H5111618H214H3(H3235)b178+
MFCD03848751
ZINC000008919519
ZINC000008919532
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