Vitas-M small molecule compound
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK722923
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)OC)OC)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 C27H26N2O5S2 MW 522.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S2/c1-32-18-11-9-17(10-12-18)29-26(31)24-19-6-4-5-7-23(19)36-25(24)28-27(29)35-15-20(30)16-8-13-21(33-2)22(14-16)34-3/h8-14H,4-7,15H2,1-3H3InChIKey
MOBAQHXYVVPDSP-UHFFFAOYSA-NSynonyms
477331-58-12((2(34dimethoxyphenyl)2oxoethyl)sulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(34dimethoxyphenyl)2oxoethyl)thio)3(4methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(34dimethoxyphenyl)2oxoethyl)sulfanyl3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
477331581
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC(=C(C=C4)OC)OC)SC5=C3CCCC5
InChI=1SC27H26N2O5S2c1321811917(101218)2926(31)2419645723(19)3625(24)2827(29)351520(30)1681321(332)22(1416)343h814H4715H213H3
MFCD03223486
ZINC000001239335
ZINC01239335
ZINC1239335
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