Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-bromophenyl)-7-chloro-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK667997
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)Cl)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 C27H17BrClN3O MW 514.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17BrClN3O/c28-20-9-6-17(7-10-20)24-25(26(33)18-4-2-1-3-5-18)32-22-12-11-21(29)14-19(22)8-13-23(32)27(24,15-30)16-31/h1-14,23-25H/t23-,24-,25+/m1/s1InChIKey
BRDGWCKPDXZGFY-SDHSZQHLSA-NSynonyms
(1S2S3AR)1BENZOYL2(4BROMOPHENYL)7CHLORO23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(4bromophenyl)7chloro1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1BENZOYL2(4BROMOPHENYL)7CHLORO12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C=C(C=C4)Cl)(C#N)C#N)C5=CC=C(C=C5)Br
InChI=1SC27H17BrClN3Oc28209617(71020)2425(26(33)184213518)3222121121(29)1419(22)81323(32)27(241530)1631h1142325Ht232425+m1s1
MFCD01244626
N#CC1(C#N)(C@H)(c2ccc(cc2)Br)(C@H)(N2(C@@H)1C=Cc1c2ccc(c1)Cl)C(=O)c1ccccc1
ZINC000008427346
ZINC08427346
ZINC8427346
Check stock
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Check stock on Vitas-MAvailable files
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