Vitas-M small molecule compound
heptyl (2Z,4Z)-2-cyano-4-(1-hexadecylquinolin-4(1H)-ylidene)but-2-enoate
Catalog ID
STK012566
SMILES CCCCCCCCCCCCCCCCn1cc/c(=C/C=C(\C(=O)OCCCCCCC)/C#N)/c2c1cccc2
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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 C37H56N2O2 MW 560.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H56N2O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-29-39-30-28-33(35-24-20-21-25-36(35)39)26-27-34(32-38)37(40)41-31-23-19-8-6-4-2/h20-21,24-28,30H,3-19,22-23,29,31H2,1-2H3/b33-26-,34-27-InChIKey
YIGKKRFQVBXTJG-FOFJVPNESA-NSynonyms
CCCCCCCCCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)OCCCCCCC)C2=CC=CC=C21
CCCCCCCCCCCCCCCCn1ccc(=CC=C(C(=O)OCCCCCCC)C#N)c2c1cccc2
HEPTYL(2Z4Z)2CYANO4(1HEXADECYLQUINOLIN4(1H)YLIDENE)BUT2ENOATE
heptyl(Z4Z)2cyano4(1hexadecylquinolin4ylidene)but2enoate
InChI=1SC37H56N2O2c13579101112131415161718222939302833(352420212536(35)39)262734(3238)37(40)413123198642h2021242830H31922232931H212H3b33263427
MFCD08049472
STK012566
ZINC000097957892
ZINC97957892
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