Vitas-M small molecule compound

(2E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-{2-[(furan-2-ylmethyl)amino]-2-oxoethoxy}phenyl)prop-2-enamide

Catalog ID
STL382221
SMILES N#C/C(=C\c1ccc(cc1)OCC(=O)NCc1ccco1)/C(=O)NCCc1ccc(c(c1)OC)OC

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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 C27H27N3O6 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O6/c1-33-24-10-7-20(15-25(24)34-2)11-12-29-27(32)21(16-28)14-19-5-8-22(9-6-19)36-18-26(31)30-17-23-4-3-13-35-23/h3-10,13-15H,11-12,17-18H2,1-2H3,(H,29,32)(H,30,31)/b21-14+
InChIKey
NOSQXEUWHFWCLO-KGENOOAVSA-N
Synonyms

(2E)2cyanoN(2(34dimethoxyphenyl)ethyl)3(4(2((furan2ylmethyl)amino)2oxoethoxy)phenyl)prop2enamide
(2E)N(2(34DIMETHOXYPHENYL)ETHYL)2CYANO3(4((N(2FURYLMETHYL)CARBAMOYL)METHOXY)PHENYL)PROP2ENAMIDE
(E)2CYANON(2(34DIMETHOXYPHENYL)ETHYL)3(4(2(FURAN2YLMETHYLAMINO)2OXOETHOXY)PHENYL)PROP2ENAMIDE
COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3)C#N)OC
InChI=1SC27H27N3O6c1332410720(1525(24)342)11122927(32)21(1628)14195822(9619)361826(31)30172343133523h3101315H11121718H212H3(H2932)(H3031)b2114+
MFCD02229705
ZINC000013402969
ZINC13402969

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Available files

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