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Vitas-M small molecule compound

{4-[(E)-{3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]-2-ethoxyphenoxy}acetic acid

Catalog ID
STL380337
SMILES CCOc1cc(ccc1OCC(=O)O)/C=C\1/SC(=O)N(C1=O)CC(=O)N1CCc2c(C1)cccc2

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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 C25H24N2O7S MW 496.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O7S/c1-2-33-20-11-16(7-8-19(20)34-15-23(29)30)12-21-24(31)27(25(32)35-21)14-22(28)26-10-9-17-5-3-4-6-18(17)13-26/h3-8,11-12H,2,9-10,13-15H2,1H3,(H,29,30)/b21-12+
InChIKey
RXANMXYRSCBLPG-CIAFOILYSA-N
Synonyms

(4((3(2(34DIHYDRO2(1H)ISOQUINOLINYL)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
(4((E)(3(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)2ethoxyphenoxy)aceticacid
2(4((E)(3(2(34DIHYDRO1HISOQUINOLIN2YL)2KETOETHYL)24DIKETOTHIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
2(4((E)(3(2(34DIHYDRO1HISOQUINOLIN2YL)2OXIDANYLIDENEETHYL)24BIS(OXIDANYLIDENE)13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ETHANOICACID
2(4((E)(3(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
2(4((E)(3(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)24DIOXO5THIAZOLIDINYLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCC4=CC=CC=C4C3)OCC(=O)O
CCOc1cc(ccc1OCC(=O)O)C=C1SC(=O)N(C1=O)CC(=O)N1CCc2c(C1)cccc2
InChI=1SC25H24N2O7Sc1233201116(7819(20)341523(29)30)122124(31)27(25(32)3521)1422(28)2610917534618(17)1326h381112H29101315H21H3(H2930)b2112+
MFCD04277828
ZINC000002124039
ZINC2124039

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Available files

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