Vitas-M small molecule compound

methyl {4-[(1E)-2-cyano-3-oxo-3-(propylamino)prop-1-en-1-yl]-2-ethoxyphenoxy}acetate

Catalog ID
STK018854
SMILES CCCNC(=O)/C(=C/c1ccc(c(c1)OCC)OCC(=O)OC)/C#N

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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 C18H22N2O5 MW 346.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O5/c1-4-8-20-18(22)14(11-19)9-13-6-7-15(16(10-13)24-5-2)25-12-17(21)23-3/h6-7,9-10H,4-5,8,12H2,1-3H3,(H,20,22)/b14-9+
InChIKey
VSHLOLXZNBILPW-NTEUORMPSA-N
Synonyms

CCCNC(=O)C(=CC1=CC(=C(C=C1)OCC(=O)OC)OCC)C#N
CCCNC(=O)C(=Cc1ccc(c(c1)OCC)OCC(=O)OC)C#N
InChI=1SC18H22N2O5c1482018(22)14(1119)9136715(16(1013)2452)251217(21)233h67910H45812H213H3(H2022)b149+
METHYL(4((1E)2CYANO3OXO3(PROPYLAMINO)PROP1EN1YL)2ETHOXYPHENOXY)ACETATE
METHYL2(4((E)2CYANO3OXO3(PROPYLAMINO)PROP1ENYL)2ETHOXYPHENOXY)ACETATE
MFCD08049757
STK018854
ZINC000004588499
ZINC04588499
ZINC4588499

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Available files

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