Vitas-M small molecule compound
(1S,2S,3aR)-7-nitro-2-phenyl-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK754068
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1)C(=O)c1ccccc1)ccc(c3)[N+](=O)[O-]
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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 C27H18N4O3 MW 446.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N4O3/c28-16-27(17-29)23-14-11-20-15-21(31(33)34)12-13-22(20)30(23)25(24(27)18-7-3-1-4-8-18)26(32)19-9-5-2-6-10-19/h1-15,23-25H/t23-,24-,25+/m1/s1InChIKey
YGLFAXTULYVLRE-SDHSZQHLSA-NSynonyms
(1S2S3AR)1BENZOYL7NITRO2PHENYL23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)7nitro2phenyl1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
C1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C=CC(=C4)(N+)(=O)(O))C(=O)C5=CC=CC=C5
InChI=1SC27H18N4O3c281627(1729)231411201521(31(33)34)121322(20)30(23)25(24(27)187314818)26(32)1995261019h1152325Ht232425+m1s1
MFCD13372040
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccccc1)C(=O)c1ccccc1)ccc(c3)(N+)(=O)(O)
ZINC000008809661
ZINC08809661
ZINC8809661
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