Vitas-M small molecule compound
ethyl 4-hydroxy-2-(4-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}phenyl)-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK384002
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)/C=C/c1ccc(cc1)OC)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 C28H27N3O6S MW 533.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6S/c1-3-36-28(34)31-15-14-21-22(16-31)38-27-24(21)26(33)29-25(30-27)18-7-11-20(12-8-18)37-23(32)13-6-17-4-9-19(35-2)10-5-17/h4-13,25,30H,3,14-16H2,1-2H3,(H,29,33)/b13-6+InChIKey
JZFFDNOZNMTABW-AWNIVKPZSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C=CC5=CC=C(C=C5)OC
CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)C=Cc1ccc(cc1)OC)O
ethyl2(4((E)3(4methoxyphenyl)prop2enoyl)oxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl4hydroxy2(4(((2E)3(4methoxyphenyl)prop2enoyl)oxy)phenyl)1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC28H27N3O6Sc133628(34)3115142122(1631)382724(21)26(33)2925(3027)1871120(12818)3723(32)136174919(352)10517h4132530H31416H212H3(H2933)b136+
MFCD03837179
ZINC000097964020
ZINC000097964021
Check stock
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Check stock on Vitas-MAvailable files
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