Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-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
STL523386
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)/C=C/c1ccc2c(c1)OCO2
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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 C26H29N3O8S MW 543.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O8S/c1-27-8-7-18-19(14-27)23(33-2)24-25(37-16-36-24)26(18)38(31,32)29-11-9-28(10-12-29)22(30)6-4-17-3-5-20-21(13-17)35-15-34-20/h3-6,13H,7-12,14-16H2,1-2H3/b6-4+InChIKey
MAXDCZPDMCKZPA-GQCTYLIASA-NSynonyms
(~(E))3(13benzodioxol5yl)1(4((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)prop2en1one
(2E)3(13benzodioxol5yl)1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)prop2en1one
125430444
COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC26H29N3O8Sc127871819(1427)23(332)2425(37163624)26(18)38(3132)2911928(101229)22(30)6417352021(1317)35153420h3613H7121416H212H3b64+
MFCD31752819
ZINC000524731831
ZINC524731831
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