Vitas-M small molecule compound
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK761390
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccs1)C(C(=C2C#N)N)(C#N)C#N
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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 C19H17N5O2S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O2S/c1-2-26-18(25)24-6-5-12-13(8-20)17(23)19(10-21,11-22)16(14(12)9-24)15-4-3-7-27-15/h3-5,7,14,16H,2,6,9,23H2,1H3/t14-,16-/m0/s1InChIKey
ZKKJIQYWHTXKBL-HOCLYGCPSA-NSynonyms
293728-04-8(8R8aR)ethyl6amino577tricyano8(thiophen2yl)1788atetrahydroisoquinoline2(3H)carboxylate
293728048
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1cccs1)C(C(=C2C#N)N)(C#N)C#N
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3
ethyl(8R8aR)6amino577tricyano8(thiophen2yl)3788atetrahydroisoquinoline2(1H)carboxylate
ethyl(8R8aR)6amino577tricyano8thiophen2yl1388atetrahydroisoquinoline2carboxylate
InChI=1SC19H17N5O2Sc122618(25)24651213(820)17(23)19(10211122)16(14(12)924)154372715h3571416H26923H21H3t1416m0s1
MFCD13372116
ZINC000004102604
ZINC04102604
ZINC4102604
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