Vitas-M small molecule compound
5-(4-bromobenzyl)-7-(butylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
Catalog ID
STK207226
SMILES CCCCSc1c(C)c2cc3OCOc3cc2n(c1=O)Cc1ccc(cc1)Br
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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 C22H22BrNO3S MW 460.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrNO3S/c1-3-4-9-28-21-14(2)17-10-19-20(27-13-26-19)11-18(17)24(22(21)25)12-15-5-7-16(23)8-6-15/h5-8,10-11H,3-4,9,12-13H2,1-2H3InChIKey
OTCAXBYXYVIDQD-UHFFFAOYSA-NSynonyms
5((4bromophenyl)methyl)7butylsulfanyl8methyl(13)dioxolo(45g)quinolin6one
5((4BROMOPHENYL)METHYL)7BUTYLTHIO8METHYL5HYDRO2H13DIOXOLANO(45G)QUINOLIN6ONE
5(4bromobenzyl)7(butylsulfanyl)8methyl(13)dioxolo(45g)quinolin6(5H)one
CCCCSC1=C(C2=CC3=C(C=C2N(C1=O)CC4=CC=C(C=C4)Br)OCO3)C
InChI=1SC22H22BrNO3Sc1349282114(2)17101920(27132619)1118(17)24(22(21)25)12155716(23)8615h581011H3491213H212H3
MFCD06754561
ZINC000009972260
ZINC09972260
ZINC9972260
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