Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STL226963
SMILES CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)CCc1ccccc1)SCc1ccc2c(c1)OCO2)C
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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 C28H28N2O4S2 MW 520.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4S2/c1-17(2)22-13-20-24(14-32-22)36-26-25(20)27(31)30(11-10-18-6-4-3-5-7-18)28(29-26)35-15-19-8-9-21-23(12-19)34-16-33-21/h3-9,12,17,22H,10-11,13-16H2,1-2H3InChIKey
YLZPRWVZCLGAJW-UHFFFAOYSA-NSynonyms
488860-04-42((13benzodioxol5ylmethyl)sulfanyl)3(2phenylethyl)6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((benzo(d)(13)dioxol5ylmethyl)thio)6isopropyl3phenethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2(13benzodioxol5ylmethylsulfanyl)3(2phenylethyl)6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin4one
488860044
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CCC6=CC=CC=C6
InChI=1SC28H28N2O4S2c117(2)22132024(143222)362625(20)27(31)30(1110186435718)28(2926)351519892123(1219)34163321h39121722H10111316H212H3
MFCD03295215
ZINC000001836082
ZINC000001836083
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