Vitas-M small molecule compound
{[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Catalog ID
STK539761
SMILES COc1ccc(cc1)n1c(SCC(=O)O)nc2c(c1=O)c1CC(OCc1s2)C(C)C
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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 C21H22N2O5S2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S2/c1-11(2)15-8-14-16(9-28-15)30-19-18(14)20(26)23(21(22-19)29-10-17(24)25)12-4-6-13(27-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H,24,25)InChIKey
ZJRVXOQYTFKFOB-UHFFFAOYSA-NSynonyms
385391-85-5((3(4methoxyphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((3(4methoxyphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)aceticacid
2((6isopropyl3(4methoxyphenyl)4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)aceticacid
385391855
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)OC
InChI=1SC21H22N2O5S2c111(2)1581416(92815)301918(14)20(26)23(21(2219)291017(24)25)124613(273)7512h471115H810H213H3(H2425)
MFCD03285752
ZINC000013552512
ZINC000013552513
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