Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-ethoxyphenyl)-1-(phenylcarbonyl)-1,2-dihydrobenzo[h]pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK524786
SMILES CCOc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H](C1(C#N)C#N)C=Cc1c2c2ccccc2cc1
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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 C33H25N3O2 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N3O2/c1-2-38-26-17-14-23(15-18-26)29-31(32(37)25-9-4-3-5-10-25)36-28(33(29,20-34)21-35)19-16-24-13-12-22-8-6-7-11-27(22)30(24)36/h3-19,28-29,31H,2H2,1H3/t28-,29-,31+/m1/s1InChIKey
DQMOZHQHUDFWDX-XQKNLLDYSA-NSynonyms
302776-78-9(1S2S3aR)1benzoyl2(4ethoxyphenyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1benzoyl2(4ethoxyphenyl)23adihydro1Hnaphtho(12e)indolizine33dicarbonitrile
(1S2S3aR)2(4ethoxyphenyl)1(phenylcarbonyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
302776789
CCOC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
CCOc1ccc(cc1)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)(C1(C#N)C#N)C=Cc1c2c2ccccc2cc1
InChI=1SC33H25N3O2c123826171423(151826)2931(32(37)2594351025)3628(33(292034)2135)1916241312228671127(22)30(24)36h319282931H2H21H3t282931+m1s1
ZINC000036006134
ZINC36006134
Check stock
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Check stock on Vitas-MAvailable files
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