Vitas-M small molecule compound

(2R)-N-(2-methoxyethyl)-4-(methylsulfanyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-2-(1H-pyrrol-1-yl)butanamide

Catalog ID
STL546823
SMILES COCCN(C(=O)[C@H](n1cccc1)CCSC)C[C@@H]1CCCN2[C@@H]1CCCC2

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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 C22H37N3O2S MW 407.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H37N3O2S/c1-27-16-15-25(18-19-8-7-14-23-11-4-3-9-20(19)23)22(26)21(10-17-28-2)24-12-5-6-13-24/h5-6,12-13,19-21H,3-4,7-11,14-18H2,1-2H3/t19-,20+,21+/m0/s1
InChIKey
UIJKCOXPFDVUFE-PWRODBHTSA-N
Synonyms

(2~(R))~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)~(N)(2methoxyethyl)4methylsulfanyl2pyrrol1ylbutanamide
(2R)N(2methoxyethyl)4(methylsulfanyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)2(1Hpyrrol1yl)butanamide
(R)N(2METHOXYETHYL)4(METHYLTHIO)N(((1S9AR)OCTAHYDRO1HQUINOLIZIN1YL)METHYL)2(1HPYRROL1YL)BUTANAMIDE
121541878
COCCN(C(=O)(C@H)(n1cccc1)CCSC)C(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC22H37N3O2Sc127161525(18198714231143920(19)23)22(26)21(1017282)2412561324h5612131921H347111418H212H3t1920+21+m0s1
ZINC000263586426
ZINC263586426

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Available files

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