Vitas-M small molecule compound
(2E)-3-[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
Catalog ID
STL200457
SMILES COc1c(OC)cc(cc1S(=O)(=O)N1CCc2c(C1)cccc2)/C=C/C(=O)O
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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 C20H21NO6S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO6S/c1-26-17-11-14(7-8-19(22)23)12-18(20(17)27-2)28(24,25)21-10-9-15-5-3-4-6-16(15)13-21/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)/b8-7+InChIKey
CBNFQUNSCJZCSK-BQYQJAHWSA-NSynonyms
327094-10-0(2E)3(3(34dihydroisoquinolin2(1H)ylsulfonyl)45dimethoxyphenyl)prop2enoicacid
(E)3(3((34dihydroisoquinolin2(1H)yl)sulfonyl)45dimethoxyphenyl)acrylicacid
(E)3(3(34DIHYDRO1HISOQUINOLIN2YLSULFONYL)45DIMETHOXYPHENYL)PROP2ENOICACID
3(3(34DIHYDRO2(1H)ISOQUINOLINYLSULFONYL)45DIMETHOXYPHENYL)ACRYLICACID
327094100
COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC
COc1c(OC)cc(cc1S(=O)(=O)N1CCc2c(C1)cccc2)C=CC(=O)O
InChI=1SC20H21NO6Sc126171114(7819(22)23)1218(20(17)272)28(2425)2110915534616(15)1321h381112H91013H212H3(H2223)b87+
MFCD02659583
ZINC000001183705
ZINC1183705
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