Vitas-M small molecule compound
methyl {[4-oxo-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK835737
SMILES C=CCn1c(SCC(=O)OC)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 C18H22N2O4S2 MW 394.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O4S2/c1-5-6-20-17(22)15-11-7-12(10(2)3)24-8-13(11)26-16(15)19-18(20)25-9-14(21)23-4/h5,10,12H,1,6-9H2,2-4H3InChIKey
VOWAPORXSKMQNS-UHFFFAOYSA-NSynonyms
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)CC=C
InChI=1SC18H22N2O4S2c1562017(22)1511712(10(2)3)24813(11)2616(15)1918(20)25914(21)234h51012H169H224H3
methyl((4oxo6(propan2yl)3(prop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3allyl6isopropyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((4oxo6propan2yl3prop2enyl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
MFCD02998072
ZINC000001129169
ZINC000001129170
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