Vitas-M small molecule compound
(2E)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobut-2-enoic acid
Catalog ID
STK421545
SMILES OC(=O)/C=C/C(=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 C13H13NO3 MW 231.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13NO3/c15-12(5-6-13(16)17)14-8-7-10-3-1-2-4-11(10)9-14/h1-6H,7-9H2,(H,16,17)/b6-5+InChIKey
QTVHTUGQWBETJC-AATRIKPKSA-NSynonyms
863647-78-3(2E)4(34dihydroisoquinolin2(1H)yl)4oxobut2enoicacid
(E)4(34DIHYDRO1HISOQUINOLIN2YL)4OXOBUT2ENOICACID
863647783
C1CN(CC2=CC=CC=C21)C(=O)C=CC(=O)O
InChI=1SC13H13NO3c1512(5613(16)17)148710312411(10)914h16H79H2(H1617)b65+
MFCD01337014
OC(=O)C=CC(=O)N1CCc2c(C1)cccc2
ZINC000004611591
ZINC4611591
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