Vitas-M small molecule compound
(2E)-3-[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
Catalog ID
STK543751
SMILES COc1ccc(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 C19H19NO5S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5S/c1-25-17-8-6-14(7-9-19(21)22)12-18(17)26(23,24)20-11-10-15-4-2-3-5-16(15)13-20/h2-9,12H,10-11,13H2,1H3,(H,21,22)/b9-7+InChIKey
DMEQLNWEKHKODN-VQHVLOKHSA-NSynonyms
327094-27-9(2E)3(3(34dihydroisoquinolin2(1H)ylsulfonyl)4methoxyphenyl)prop2enoicacid
(E)3(3((34dihydroisoquinolin2(1H)yl)sulfonyl)4methoxyphenyl)acrylicacid
(E)3(3(34DIHYDRO1HISOQUINOLIN2YLSULFONYL)4METHOXYPHENYL)PROP2ENOICACID
3(3(34DIHYDRO2(1H)ISOQUINOLINYLSULFONYL)4METHOXYPHENYL)ACRYLICACID
327094279
COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2
COc1ccc(cc1S(=O)(=O)N1CCc2c(C1)cccc2)C=CC(=O)O
InChI=1SC19H19NO5Sc125178614(7919(21)22)1218(17)26(2324)20111015423516(15)1320h2912H101113H21H3(H2122)b97+
MFCD02659597
ZINC000001183767
ZINC1183767
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