Vitas-M small molecule compound
4-(7-ethyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl (2E)-3-(furan-2-yl)prop-2-enoate
Catalog ID
STK382819
SMILES CCC1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)/C=C/c1ccco1)O
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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 C25H24N2O4S MW 448.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O4S/c1-2-15-5-11-19-20(14-15)32-25-22(19)24(29)26-23(27-25)16-6-8-18(9-7-16)31-21(28)12-10-17-4-3-13-30-17/h3-4,6-10,12-13,15,23,27H,2,5,11,14H2,1H3,(H,26,29)/b12-10+InChIKey
LTXUMWFDKFJDBZ-ZRDIBKRKSA-NSynonyms
(4(7ethyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)(E)3(furan2yl)prop2enoate
4(7ethyl4hydroxy125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl(2E)3(furan2yl)prop2enoate
CCC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C=CC5=CC=CO5
CCC1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)C=Cc1ccco1)O
InChI=1SC25H24N2O4Sc12155111920(1415)322522(19)24(29)2623(2725)166818(9716)3121(28)12101743133017h346101213152327H251114H21H3(H2629)b1210+
MFCD03037255
ZINC000015945385
ZINC000015945391
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