Vitas-M small molecule compound
(1S,2S,3aR)-7-chloro-1-[(4-methylphenyl)carbonyl]-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK748717
SMILES N#CC1(C#N)[C@H](c2ccccc2)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)Cl)C(=O)c1ccc(cc1)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 C28H20ClN3O MW 449.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O/c1-18-7-9-20(10-8-18)27(33)26-25(19-5-3-2-4-6-19)28(16-30,17-31)24-14-11-21-15-22(29)12-13-23(21)32(24)26/h2-15,24-26H,1H3/t24-,25-,26+/m1/s1InChIKey
NPTFPJMIBFTQJX-CYXNTTPDSA-NSynonyms
(1S2S3AR)7CHLORO1((4METHYLPHENYL)CARBONYL)2PHENYL12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
(1S2S3AR)7CHLORO1(4METHYLBENZOYL)2PHENYL23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
CC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C=C(C=C4)Cl)(C#N)C#N)C5=CC=CC=C5
InChI=1SC28H20ClN3Oc1187920(10818)27(33)2625(195324619)28(16301731)241411211522(29)121323(21)32(24)26h2152426H1H3t242526+m1s1
MFCD13372019
N#CC1(C#N)(C@H)(c2ccccc2)(C@H)(N2(C@@H)1C=Cc1c2ccc(c1)Cl)C(=O)c1ccc(cc1)C
ZINC000009761135
ZINC09761135
ZINC9761135
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