Vitas-M small molecule compound
2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STL238436
SMILES C/C(=C\CSc1nc2sc3c(c2c(=O)n1c1ccccc1)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 C21H21ClN2OS3 MW 449.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2OS3/c1-13(22)9-10-26-20-23-18-17(15-11-21(2,3)27-12-16(15)28-18)19(25)24(20)14-7-5-4-6-8-14/h4-9H,10-12H2,1-3H3/b13-9+InChIKey
BRJYPIDJYMMUIM-UKTHLTGXSA-NSynonyms
500194-88-7(E)2((3chlorobut2en1yl)thio)66dimethyl3phenyl56dihydro3Hthiopyrano(4345)thieno(23d)pyrimidin4(8H)one
2(((2E)3chlorobut2en1yl)sulfanyl)66dimethyl3phenyl3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin4one
2((E)3chlorobut2enyl)sulfanyl66dimethyl3phenyl58dihydrothiopyrano(23)thieno(24b)pyrimidin4one
500194887
CC(=CCSC1=NC2=C(C3=C(S2)CSC(C3)(C)C)C(=O)N1C4=CC=CC=C4)Cl
CC(=CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(SC3)(C)C)Cl
InChI=1SC21H21ClN2OS3c113(22)9102620231817(151121(23)271216(15)2818)19(25)24(20)147546814h49H1012H213H3b139+
MFCD03304826
ZINC000009065072
ZINC09065072
ZINC9065072
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