Vitas-M small molecule compound
2-[(2-bromoprop-2-en-1-yl)sulfanyl]-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK034305
SMILES COc1ccc(cc1)n1c(SCC(=C)Br)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C21H21BrN2O3S2 MW 493.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3S2/c1-12(22)11-28-20-23-18-17(15-9-21(2,3)27-10-16(15)29-18)19(25)24(20)13-5-7-14(26-4)8-6-13/h5-8H,1,9-11H2,2-4H3InChIKey
IMAIIWYPZUMASD-UHFFFAOYSA-NSynonyms
332393-00-72((2bromoallyl)thio)3(4methoxyphenyl)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2((2bromoprop2en1yl)sulfanyl)3(4methoxyphenyl)66dimethyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2(2bromoprop2enylsulfanyl)3(4methoxyphenyl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4one
332393007
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=C)Br)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)n1c(SCC(=C)Br)nc2c(c1=O)c1CC(C)(C)OCc1s2
InChI=1SC21H21BrN2O3S2c112(22)112820231817(15921(23)271016(15)2918)19(25)24(20)135714(264)8613h58H1911H224H3
MFCD01880750
STK034305
ZINC000002183439
ZINC02183439
ZINC2183439
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