Vitas-M small molecule compound
{[3-(2-methylphenyl)-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
STK722294
SMILES OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CC(OC3)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 C21H22N2O4S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S2/c1-11(2)15-8-13-16(9-27-15)29-19-18(13)20(26)23(14-7-5-4-6-12(14)3)21(22-19)28-10-17(24)25/h4-7,11,15H,8-10H2,1-3H3,(H,24,25)InChIKey
YAEWSICMIJRGFV-UHFFFAOYSA-NSynonyms
((3(2methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((3(2methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)aceticacid
2((6isopropyl4oxo3(otolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)aceticacid
CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CC(OC4)C(C)C
InChI=1SC21H22N2O4S2c111(2)1581316(92715)291918(13)20(26)23(14754612(14)3)21(2219)281017(24)25h471115H810H213H3(H2425)
MFCD02987883
ZINC000002198530
ZINC000002198533
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