Vitas-M small molecule compound
2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK541509
SMILES C/C(=C\CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(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 C22H23ClN2OS3 MW 463.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2OS3/c1-13-5-7-15(8-6-13)25-20(26)18-16-11-22(3,4)28-12-17(16)29-19(18)24-21(25)27-10-9-14(2)23/h5-9H,10-12H2,1-4H3/b14-9+InChIKey
DMJHUTMXPBOHRR-NTEUORMPSA-NSynonyms
488823-57-0(E)2((3chlorobut2en1yl)thio)66dimethyl3(ptolyl)56dihydro3Hthiopyrano(4345)thieno(23d)pyrimidin4(8H)one
2(((2E)3chlorobut2en1yl)sulfanyl)66dimethyl3(4methylphenyl)3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin4one
2((E)3chlorobut2enyl)sulfanyl66dimethyl3(4methylphenyl)58dihydrothiopyrano(23)thieno(24b)pyrimidin4one
488823570
CC(=CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C)Cl
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC=C(C)Cl)SC4=C3CC(SC4)(C)C
InChI=1SC22H23ClN2OS3c1135715(8613)2520(26)18161122(34)281217(16)2919(18)2421(25)2710914(2)23h59H1012H214H3b149+
MFCD03293784
ZINC000001835509
ZINC01835509
ZINC1835509
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