Vitas-M small molecule compound
(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK754991
SMILES N#CC1(C#N)[C@@H](c2ccc(cc2)SC)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C(C)(C)C
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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 C26H25N3OS MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3OS/c1-25(2,3)24(30)22-21(18-9-11-19(31-4)12-10-18)26(15-27,16-28)23-20-8-6-5-7-17(20)13-14-29(22)23/h5-14,21-23H,1-4H3/t21-,22+,23-/m0/s1InChIKey
LHQXQIFPZWYZJA-ZRBLBEILSA-NSynonyms
293313-00-5(2R3R10bS)2(4(methylthio)phenyl)3pivaloyl23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3(22dimethylpropanoyl)2(4(methylsulfanyl)phenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10BS)3(22DIMETHYLPROPANOYL)2(4METHYLSULFANYLPHENYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
293313005
CC(C)(C)C(=O)C1C(C(C2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=C(C=C4)SC
InChI=1SC26H25N3OSc125(23)24(30)2221(1891119(314)121018)26(15271628)2320865717(20)131429(22)23h5142123H14H3t2122+23m0s1
MFCD13372078
N#CC1(C#N)(C@@H)(c2ccc(cc2)SC)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)C(C)(C)C
ZINC000012364931
ZINC12364931
Check stock
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Check stock on Vitas-MAvailable files
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