Vitas-M small molecule compound

(1S,2S,3aR)-2-[4-(methylsulfanyl)phenyl]-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK757372
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)SC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

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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 C32H31N3OS MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3OS/c1-37-25-9-6-24(7-10-25)28-29(30(36)31-15-20-12-21(16-31)14-22(13-20)17-31)35-26-5-3-2-4-23(26)8-11-27(35)32(28,18-33)19-34/h2-11,20-22,27-29H,12-17H2,1H3/t20?,21?,22?,27-,28-,29+,31?/m1/s1
InChIKey
HYUURDHZLXYBMM-MFPPOBTFSA-N
Synonyms
293320-10-2
(1S2S3aR)1((3S5S7S)adamantane1carbonyl)2(4(methylthio)phenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1(ADAMANTANE1CARBONYL)2(4METHYLSULFANYLPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(4(methylsulfanyl)phenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(1ADAMANTYLCARBONYL)2(4(METHYLSULFANYL)PHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
293320102
CSC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6
InChI=1SC32H31N3OSc137259624(71025)2829(30(36)3115201221(1631)1422(1320)1731)3526532423(26)81127(35)32(281833)1934h21120222729H1217H21H3t20?21?22?272829+31?m1s1
MFCD08558829
N#CC1(C#N)(C@H)(c2ccc(cc2)SC)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000008448470
ZINC08448470
ZINC8448470

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Available files

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