Vitas-M small molecule compound

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-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
STK829850
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)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 C22H21BrN2O3S2 MW 505.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O3S2/c1-4-9-25-20(27)18-15-10-22(2,3)28-11-17(15)30-19(18)24-21(25)29-12-16(26)13-5-7-14(23)8-6-13/h4-8H,1,9-12H2,2-3H3
InChIKey
IIHVGYLWPPXOGC-UHFFFAOYSA-N
Synonyms
331234-18-5
2((2(4bromophenyl)2oxoethyl)sulfanyl)66dimethyl3(prop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2(2(4bromophenyl)2oxoethyl)sulfanyl66dimethyl3prop2enyl58dihydropyrano(23)thieno(24b)pyrimidin4one
331234185
3allyl2((2(4bromophenyl)2oxoethyl)thio)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)CC=C)C
InChI=1SC22H21BrN2O3S2c1492520(27)18151022(23)281117(15)3019(18)2421(25)291216(26)135714(23)8613h48H1912H223H3
MFCD00698464
ZINC000000820775
ZINC00820775
ZINC820775

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Available files

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