Vitas-M small molecule compound
{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Catalog ID
STK542759
SMILES CCOc1ccc(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 C20H20N2O4S2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S2/c1-2-26-13-9-7-12(8-10-13)22-19(25)17-14-5-3-4-6-15(14)28-18(17)21-20(22)27-11-16(23)24/h7-10H,2-6,11H2,1H3,(H,23,24)InChIKey
SUWNHLRYNSHECH-UHFFFAOYSA-NSynonyms
380453-36-1((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)aceticacid
2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)aceticacid
380453361
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4
InChI=1SC20H20N2O4S2c1226139712(81013)2219(25)1714534615(14)2818(17)2120(22)271116(23)24h710H2611H21H3(H2324)
MFCD03083860
ZINC000004641932
ZINC4641932
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