Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-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-4-one
Catalog ID
STK835958
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Cl)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 C23H23ClN2O3S2 MW 475.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O3S2/c1-4-9-26-22(28)20-16-10-18(13(2)3)29-11-19(16)31-21(20)25-23(26)30-12-17(27)14-5-7-15(24)8-6-14/h4-8,13,18H,1,9-12H2,2-3H3InChIKey
JCIFIPWLCNEAJY-UHFFFAOYSA-NSynonyms
381715-45-32((2(4chlorophenyl)2oxoethyl)sulfanyl)6(propan2yl)3(prop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2(2(4chlorophenyl)2oxoethyl)sulfanyl6propan2yl3prop2enyl68dihydro5Hpyrano(23)thieno(24b)pyrimidin4one
381715453
3allyl2((2(4chlorophenyl)2oxoethyl)thio)6isopropyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC=C
InChI=1SC23H23ClN2O3S2c1492622(28)20161018(13(2)3)291119(16)3121(20)2523(26)301217(27)145715(24)8614h481318H1912H223H3
MFCD02998705
ZINC000001243470
ZINC000001243471
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