Vitas-M small molecule compound

2-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK544712
SMILES C/C(=C/CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)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/c1-13-6-5-7-15(10-13)25-20(26)18-16-11-22(3,4)28-12-17(16)29-19(18)24-21(25)27-9-8-14(2)23/h5-8,10H,9,11-12H2,1-4H3/b14-8-
InChIKey
DPWPPTVZZUIYBK-ZSOIEALJSA-N
Synonyms
500270-45-1
(Z)2((3chlorobut2en1yl)thio)66dimethyl3(mtolyl)56dihydro3Hthiopyrano(4345)thieno(23d)pyrimidin4(8H)one
2(((2Z)3chlorobut2en1yl)sulfanyl)66dimethyl3(3methylphenyl)3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin4one
2((Z)3chlorobut2enyl)sulfanyl66dimethyl3(3methylphenyl)58dihydrothiopyrano(23)thieno(24b)pyrimidin4one
500270451
CC(=CCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(SC3)(C)C)Cl
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC=C(C)Cl)SC4=C3CC(SC4)(C)C
InChI=1SC22H23ClN2OS3c11365715(1013)2520(26)18161122(34)281217(16)2919(18)2421(25)279814(2)23h5810H91112H214H3b148
MFCD03299861
ZINC000013597251
ZINC13597251

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Available files

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