Vitas-M small molecule compound
2-{[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL369885
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N2C(C)CCCC2C)nc2c(c1=O)c1CCCCc1s2
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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 C27H33N3O3S2 MW 511.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O3S2/c1-4-33-20-14-12-19(13-15-20)30-26(32)24-21-10-5-6-11-22(21)35-25(24)28-27(30)34-16-23(31)29-17(2)8-7-9-18(29)3/h12-15,17-18H,4-11,16H2,1-3H3InChIKey
XSMVABOOCARDLP-UHFFFAOYSA-NSynonyms
2((2(26dimethylpiperidin1yl)2oxoethyl)sulfanyl)3(4ethoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(2(26dimethylpiperidin1yl)2oxoethyl)sulfanyl3(4ethoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N4C(CCCC4C)C)SC5=C3CCCC5
InChI=1SC27H33N3O3S2c143320141219(131520)3026(32)242110561122(21)3525(24)2827(30)341623(31)2917(2)87918(29)3h12151718H41116H213H3
MFCD03864570
ZINC000002143118
ZINC000018119987
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