Vitas-M small molecule compound
4-{[3,3-dicyano-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]carbonyl}phenyl acetate (non-preferred name)
Catalog ID
STK555231
SMILES N#CC1(C#N)C(c2ccco2)C(N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
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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 C27H19N3O4 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O4/c1-17(31)34-20-11-8-19(9-12-20)26(32)25-24(22-7-4-14-33-22)27(15-28,16-29)23-13-10-18-5-2-3-6-21(18)30(23)25/h2-14,23-25H,1H3InChIKey
NCSMTRKYTGZXKW-UHFFFAOYSA-NSynonyms
1022662-27-6(4(33DICYANO2(FURAN2YL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE1CARBONYL)PHENYL)ACETATE
1022662276
4((33dicyano2(furan2yl)1233atetrahydropyrrolo(12a)quinolin1yl)carbonyl)phenylacetate(nonpreferredname)
4(33dicyano2(furan2yl)1233atetrahydropyrrolo(12a)quinoline1carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CO5
InChI=1SC27H19N3O4c117(31)342011819(91220)26(32)2524(2274143322)27(15281629)23131018523621(18)30(23)25h2142325H1H3
MFCD03688210
ZINC000002265929
ZINC000013752333
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