Vitas-M small molecule compound
(8R,8aS)-6-amino-7,7-dicyano-8-[4-(methylsulfanyl)phenyl]-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Catalog ID
STK673084
SMILES N#CC1(C#N)[C@@H](c2ccc(cc2)SC)[C@@H]2CN(CC=C2C(=C1N)C(=O)O)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 C22H24N4O2S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S/c1-13(2)26-9-8-16-17(10-26)19(14-4-6-15(29-3)7-5-14)22(11-23,12-24)20(25)18(16)21(27)28/h4-8,13,17,19H,9-10,25H2,1-3H3,(H,27,28)/t17-,19+/m1/s1InChIKey
IZLBXAAKRKARIU-MJGOQNOKSA-NSynonyms
(8R8aS)6amino77dicyano8(4(methylsulfanyl)phenyl)2(propan2yl)123788ahexahydroisoquinoline5carboxylicacid
(8R8aS)6amino77dicyano8(4methylsulfanylphenyl)2propan2yl1388atetrahydroisoquinoline5carboxylicacid
CC(C)N1CC=C2C(C1)C(C(C(=C2C(=O)O)N)(C#N)C#N)C3=CC=C(C=C3)SC
InChI=1SC22H24N4O2Sc113(2)26981617(1026)19(144615(293)7514)22(11231224)20(25)18(16)21(27)28h48131719H91025H213H3(H2728)t1719+m1s1
MFCD01244572
N#CC1(C#N)(C@@H)(c2ccc(cc2)SC)(C@@H)2CN(CC=C2C(=C1N)C(=O)O)C(C)C
ZINC000020477652
ZINC20477652
Check stock
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