Vitas-M small molecule compound
(2E)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK054100
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1Cl)/C(=O)NCC1CCCO1
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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 C23H23ClN2O4 MW 426.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O4/c1-28-22-12-16(8-9-21(22)30-15-17-5-2-3-7-20(17)24)11-18(13-25)23(27)26-14-19-6-4-10-29-19/h2-3,5,7-9,11-12,19H,4,6,10,14-15H2,1H3,(H,26,27)/b18-11+InChIKey
BRRLQDBAKKZSEY-WOJGMQOQSA-NSynonyms
(2E)3(4((2CHLOROBENZYL)OXY)3METHOXYPHENYL)2CYANON(TETRAHYDROFURAN2YLMETHYL)PROP2ENAMIDE
(E)3(4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)2CYANON(OXOLAN2YLMETHYL)PROP2ENAMIDE
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2CCCO2)OCC3=CC=CC=C3Cl
InChI=1SC23H23ClN2O4c128221216(8921(22)301517523720(17)24)1118(1325)23(27)26141964102919h23579111219H46101415H21H3(H2627)b1811+
MFCD03498281
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1Cl)C(=O)NCC1CCCO1
STK054100
ZINC000009434942
ZINC000013943917
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