Vitas-M small molecule compound
4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Catalog ID
STK746058
SMILES COc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCN(C1)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 C26H25N3O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S/c1-29-14-13-20-21(15-29)34-26-23(20)25(31)27-24(28-26)17-6-10-19(11-7-17)33-22(30)12-5-16-3-8-18(32-2)9-4-16/h3-12,24,28H,13-15H2,1-2H3,(H,27,31)/b12-5+InChIKey
QPYSJNCGSXSBSN-LFYBBSHMSA-NSynonyms
353462-35-8(4(7methyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)(E)3(4methoxyphenyl)prop2enoate
353462358
4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl(2E)3(4methoxyphenyl)prop2enoate
CN1CCC2=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)sc1c2CCN(C1)C
InChI=1SC26H25N3O4Sc12914132021(1529)342623(20)25(31)2724(2826)1761019(11717)3322(30)125163818(322)9416h3122428H1315H212H3(H2731)b125+
MFCD03801427
ZINC000008448834
ZINC000008838128
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