Vitas-M small molecule compound
ethyl 4-{5-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]furan-2-yl}benzoate
Catalog ID
STK383967
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)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 C28H32N2O4S MW 492.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O4S/c1-5-28(3,4)18-11-12-19-22(15-18)35-26-23(19)25(31)29-24(30-26)21-14-13-20(34-21)16-7-9-17(10-8-16)27(32)33-6-2/h7-10,13-14,18,24,30H,5-6,11-12,15H2,1-4H3,(H,29,31)InChIKey
PZMZCSGPLRTFGR-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=CC=C(C=C5)C(=O)OCC
ethyl4(5(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)furan2yl)benzoate
ethyl4(5(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)furan2yl)benzoate
InChI=1SC28H32N2O4Sc1528(34)1811121922(1518)352623(19)25(31)2924(3026)21141320(3421)167917(10816)27(32)3362h7101314182430H56111215H214H3(H2931)
MFCD03837041
ZINC000008920808
ZINC000008920821
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