Vitas-M small molecule compound
2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK538836
SMILES C/C(=C\CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(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 C22H23ClN2O2S2 MW 447.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O2S2/c1-13-6-5-7-15(10-13)25-20(26)18-16-11-22(3,4)27-12-17(16)29-19(18)24-21(25)28-9-8-14(2)23/h5-8,10H,9,11-12H2,1-4H3/b14-8+InChIKey
CIZWLGOBLZIFNE-RIYZIHGNSA-NSynonyms
384350-56-5(E)2((3chlorobut2en1yl)thio)66dimethyl3(mtolyl)56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2(((2E)3chlorobut2en1yl)sulfanyl)66dimethyl3(3methylphenyl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((E)3chlorobut2enyl)sulfanyl66dimethyl3(3methylphenyl)58dihydropyrano(23)thieno(24b)pyrimidin4one
384350565
CC(=CCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C)Cl
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC=C(C)Cl)SC4=C3CC(OC4)(C)C
InChI=1SC22H23ClN2O2S2c11365715(1013)2520(26)18161122(34)271217(16)2919(18)2421(25)289814(2)23h5810H91112H214H3b148+
MFCD03285206
ZINC000013552260
ZINC13552260
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