Vitas-M small molecule compound
methyl N-{[2'-(furan-2-ylmethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}-beta-alaninate
Catalog ID
STL315457
SMILES COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)Cc1ccco1
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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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-30-20(27)11-14-25-22(28)21-18-9-3-4-10-19(18)23(29)26(16-17-8-7-15-31-17)24(21)12-5-2-6-13-24/h3-4,7-10,15,21H,2,5-6,11-14,16H2,1H3,(H,25,28)InChIKey
XVWBFFFXWZHKCG-UHFFFAOYSA-NSynonyms
1401529-85-81401529858
COC(=O)CCNC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCCC3)CC4=CC=CO4
InChI=1SC24H28N2O5c13020(27)11142522(28)21189341019(18)23(29)26(161787153117)24(21)125261324h347101521H256111416H21H3(H2528)
methyl3((2(furan2ylmethyl)1oxospiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methyl3(2(furan2ylmethyl)1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
methylN((2(furan2ylmethyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD28027267
ZINC000079474473
ZINC000079474479
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