Vitas-M small molecule compound
(1S,2S,3aR)-2-(3-methoxyphenyl)-1-(phenylcarbonyl)-1,2-dihydrobenzo[h]pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK524675
SMILES COc1cccc(c1)[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 C32H23N3O2 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23N3O2/c1-37-25-12-7-11-24(18-25)28-30(31(36)23-9-3-2-4-10-23)35-27(32(28,19-33)20-34)17-16-22-15-14-21-8-5-6-13-26(21)29(22)35/h2-18,27-28,30H,1H3/t27-,28-,30+/m1/s1InChIKey
IWVOJZYGYANOJM-QVKOCQLISA-NSynonyms
302344-71-4(1S2S3aR)1benzoyl2(3methoxyphenyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1benzoyl2(3methoxyphenyl)23adihydro1Hnaphtho(12e)indolizine33dicarbonitrile
(1S2S3aR)2(3methoxyphenyl)1(phenylcarbonyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
302344714
COC1=CC=CC(=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
COc1cccc(c1)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)(C1(C#N)C#N)C=Cc1c2c2ccccc2cc1
InChI=1SC32H23N3O2c137251271124(1825)2830(31(36)2393241023)3527(32(281933)2034)1716221514218561326(21)29(22)35h218272830H1H3t272830+m1s1
ZINC000008926423
ZINC08926423
ZINC8926423
Check stock
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Check stock on Vitas-MAvailable files
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