Vitas-M small molecule compound
2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-(3-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK721063
SMILES C/C(=C\CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C)/Cl
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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 C23H25ClN2O2S2 MW 461.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O2S2/c1-13(2)18-11-17-19(12-28-18)30-21-20(17)22(27)26(16-7-5-6-14(3)10-16)23(25-21)29-9-8-15(4)24/h5-8,10,13,18H,9,11-12H2,1-4H3/b15-8+InChIKey
NPYVTVIQGTYRJZ-OVCLIPMQSA-NSynonyms
384796-58-1(E)2((3chlorobut2en1yl)thio)6isopropyl3(mtolyl)56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2(((2E)3chlorobut2en1yl)sulfanyl)3(3methylphenyl)6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((E)3chlorobut2enyl)sulfanyl3(3methylphenyl)6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin4one
384796581
CC(=CCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C)Cl
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC=C(C)Cl)SC4=C3CC(OC4)C(C)C
InChI=1SC23H25ClN2O2S2c113(2)18111719(122818)302120(17)22(27)26(1675614(3)1016)23(2521)299815(4)24h58101318H91112H214H3b158+
MFCD03284157
ZINC000009215838
ZINC000009215841
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