Vitas-M small molecule compound
4-(7-tert-butyl-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-2-ethoxyphenyl benzoate
Catalog ID
STK382485
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)C1NC(=O)c2c(N1)sc1c2CCC(C1)C(C)(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 C29H32N2O4S MW 504.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O4S/c1-5-34-22-15-18(11-14-21(22)35-28(33)17-9-7-6-8-10-17)25-30-26(32)24-20-13-12-19(29(2,3)4)16-23(20)36-27(24)31-25/h6-11,14-15,19,25,31H,5,12-13,16H2,1-4H3,(H,30,32)InChIKey
YPKRJLJFXSRFLB-UHFFFAOYSA-NSynonyms
(4(7tertbutyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)2ethoxyphenyl)benzoate
4(7tertbutyl4oxo12345678octahydro(1)benzothieno(23d)pyrimidin2yl)2ethoxyphenylbenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2)OC(=O)C5=CC=CC=C5
InChI=1SC29H32N2O4Sc1534221518(111421(22)3528(33)1797681017)253026(32)2420131219(29(23)4)1623(20)3627(24)3125h6111415192531H5121316H214H3(H3032)
MFCD02916195
ZINC000017085928
ZINC000017085931
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