Vitas-M small molecule compound
2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK015846
SMILES CCOc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)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 C27H24N2O5S2 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5S2/c1-2-32-18-10-8-17(9-11-18)29-26(31)24-19-5-3-4-6-23(19)36-25(24)28-27(29)35-14-20(30)16-7-12-21-22(13-16)34-15-33-21/h7-13H,2-6,14-15H2,1H3InChIKey
SMCOTHOGDKYCHG-UHFFFAOYSA-NSynonyms
499125-37-02((2(13benzodioxol5yl)2oxoethyl)sulfanyl)3(4ethoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(benzo(d)(13)dioxol5yl)2oxoethyl)thio)3(4ethoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(13benzodioxol5yl)2oxoethyl)sulfanyl3(4ethoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
499125370
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC5=C(C=C4)OCO5)SC6=C3CCCC6
CCOc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCCc1s2
InChI=1SC27H24N2O5S2c12321810817(91118)2926(31)2419534623(19)3625(24)2827(29)351420(30)167122122(1316)34153321h713H261415H21H3
MFCD03224507
STK015846
ZINC000001780722
ZINC01780722
ZINC1780722
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