Vitas-M small molecule compound
(1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophen-3-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK754123
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1)C(=O)c1ccsc1)ccc(c3)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 C25H16ClN3OS MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClN3OS/c26-19-7-8-20-17(12-19)6-9-21-25(14-27,15-28)22(16-4-2-1-3-5-16)23(29(20)21)24(30)18-10-11-31-13-18/h1-13,21-23H/t21-,22-,23+/m1/s1InChIKey
UBBBVGJLBBETIZ-ZLNRFVROSA-NSynonyms
293728-75-3(1S2S3aR)7chloro2phenyl1(thiophen3ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)7chloro2phenyl1(thiophene3carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)7CHLORO2PHENYL1(THIOPHENE3CARBONYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
293728753
C1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CSC=C5
InChI=1SC25H16ClN3OSc2619782017(1219)692125(14271528)22(164213516)23(29(20)21)24(30)181011311318h1132123Ht212223+m1s1
MFCD13372063
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccccc1)C(=O)c1ccsc1)ccc(c3)Cl
ZINC000008809681
ZINC08809681
ZINC8809681
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