Vitas-M small molecule compound
2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK090209
SMILES COc1ccc(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 C26H22N2O5S2 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5S2/c1-31-17-9-7-16(8-10-17)28-25(30)23-18-4-2-3-5-22(18)35-24(23)27-26(28)34-13-19(29)15-6-11-20-21(12-15)33-14-32-20/h6-12H,2-5,13-14H2,1H3InChIKey
JMSOFAZXNQVFIX-UHFFFAOYSA-NSynonyms
477330-60-22((2(13benzodioxol5yl)2oxoethyl)sulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(benzo(d)(13)dioxol5yl)2oxoethyl)thio)3(4methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(13benzodioxol5yl)2oxoethyl)sulfanyl3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
477330602
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC5=C(C=C4)OCO5)SC6=C3CCCC6
COc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCCc1s2
InChI=1SC26H22N2O5S2c131179716(81017)2825(30)2318423522(18)3524(23)2726(28)341319(29)156112021(1215)33143220h612H251314H21H3
MFCD03223489
STK090209
ZINC000001088235
ZINC01088235
ZINC1088235
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