Vitas-M small molecule compound
(1S,2S,3aR)-7-chloro-1-[(4-methoxyphenyl)carbonyl]-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK754121
SMILES COc1ccc(cc1)C(=O)[C@H]1N2c3ccc(cc3C=C[C@@H]2C([C@@H]1c1ccccc1)(C#N)C#N)Cl
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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 C28H20ClN3O2 MW 465.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O2/c1-34-22-11-7-19(8-12-22)27(33)26-25(18-5-3-2-4-6-18)28(16-30,17-31)24-14-9-20-15-21(29)10-13-23(20)32(24)26/h2-15,24-26H,1H3/t24-,25-,26+/m1/s1InChIKey
NJDIJUPODAHABY-CYXNTTPDSA-NSynonyms
(1S2S3aR)7chloro1((4methoxyphenyl)carbonyl)2phenyl12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)7CHLORO1(4METHOXYBENZOYL)2PHENYL23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
COC1=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
COc1ccc(cc1)C(=O)(C@H)1N2c3ccc(cc3C=C(C@@H)2C((C@@H)1c1ccccc1)(C#N)C#N)Cl
InChI=1SC28H20ClN3O2c1342211719(81222)27(33)2625(185324618)28(16301731)24149201521(29)101323(20)32(24)26h2152426H1H3t242526+m1s1
MFCD13372061
ZINC000008809676
ZINC08809676
ZINC8809676
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