Vitas-M small molecule compound
{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Catalog ID
STK698987
SMILES COc1ccc(cc1)n1c(SCC(=O)O)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 C19H18N2O4S2 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4S2/c1-25-12-8-6-11(7-9-12)21-18(24)16-13-4-2-3-5-14(13)27-17(16)20-19(21)26-10-15(22)23/h6-9H,2-5,10H2,1H3,(H,22,23)InChIKey
UYUAGENVVRXKRV-UHFFFAOYSA-NSynonyms
354992-55-5((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)aceticacid
2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)aceticacid
354992555
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4
InChI=1SC19H18N2O4S2c125128611(7912)2118(24)1613423514(13)2717(16)2019(21)261015(22)23h69H2510H21H3(H2223)
MFCD01875637
ZINC000002271172
ZINC2271172
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