Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-1-{4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}prop-2-en-1-one
Catalog ID
STL523888
SMILES COc1cc(/C=C/C(=O)N2CCN(CC2)S(=O)(=O)c2c3CCN(Cc3c(c3c2OCO3)OC)C)ccc1OC
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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 C27H33N3O8S MW 559.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O8S/c1-28-10-9-19-20(16-28)24(36-4)25-26(38-17-37-25)27(19)39(32,33)30-13-11-29(12-14-30)23(31)8-6-18-5-7-21(34-2)22(15-18)35-3/h5-8,15H,9-14,16-17H2,1-4H3/b8-6+InChIKey
YWOSYIFKIQUOTC-SOFGYWHQSA-NSynonyms
(~(E))3(34dimethoxyphenyl)1(4((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)prop2en1one
(2E)3(34dimethoxyphenyl)1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)prop2en1one
(E)3(34dimethoxyphenyl)1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)prop2en1one
125428800
COc1cc(C=CC(=O)N2CCN(CC2)S(=O)(=O)c2c3CCN(Cc3c(c3c2OCO3)OC)C)ccc1OC
InChI=1SC27H33N3O8Sc1281091920(1628)24(364)2526(38173725)27(19)39(3233)30131129(121430)23(31)86185721(342)22(1518)353h5815H9141617H214H3b86+
MFCD31753316
ZINC000524730189
ZINC524730189
Check stock
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Check stock on Vitas-MAvailable files
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