Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-bromophenyl)-7-methyl-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK754099
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)C)C(=O)c1ccccc1
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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 C28H20BrN3O MW 494.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN3O/c1-18-7-13-23-21(15-18)10-14-24-28(16-30,17-31)25(19-8-11-22(29)12-9-19)26(32(23)24)27(33)20-5-3-2-4-6-20/h2-15,24-26H,1H3/t24-,25-,26+/m1/s1InChIKey
YUTMQMNAVHTHQS-CYXNTTPDSA-NSynonyms
293728-69-5(1S2S3aR)1benzoyl2(4bromophenyl)7methyl12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1BENZOYL2(4BROMOPHENYL)7METHYL23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(4bromophenyl)7methyl1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
293728695
CC1=CC2=C(C=C1)N3C(C=C2)C(C(C3C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)(C#N)C#N
InChI=1SC28H20BrN3Oc1187132321(1518)10142428(16301731)25(1981122(29)12919)26(32(23)24)27(33)205324620h2152426H1H3t242526+m1s1
MFCD13372058
N#CC1(C#N)(C@H)(c2ccc(cc2)Br)(C@H)(N2(C@@H)1C=Cc1c2ccc(c1)C)C(=O)c1ccccc1
ZINC000008926453
ZINC08926453
ZINC8926453
Check stock
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Check stock on Vitas-MAvailable files
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