Vitas-M small molecule compound
methyl N-[(1'-oxo-2'-phenyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl)carbonyl]-beta-alaninate
Catalog ID
STK634895
SMILES COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)c1ccccc1
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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 C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/c1-31-21(28)14-17-26-23(29)22-19-12-6-7-13-20(19)24(30)27(18-10-4-2-5-11-18)25(22)15-8-3-9-16-25/h2,4-7,10-13,22H,3,8-9,14-17H2,1H3,(H,26,29)InChIKey
JRKFRUSCTASLEA-UHFFFAOYSA-NSynonyms
1214633-02-91214633029
COC(=O)CCNC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCCC3)C4=CC=CC=C4
InChI=1SC25H28N2O4c13121(28)14172623(29)221912671320(19)24(30)27(18104251118)25(22)158391625h247101322H3891417H21H3(H2629)
methyl3((1oxo2phenylspiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methyl3(1oxo2phenyl24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
methylN((1oxo2phenyl14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD18160542
ZINC000020727128
ZINC000020727132
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