Vitas-M small molecule compound
diethyl 6-amino-5,7,7-tricyano-1,3,7,8a-tetrahydro-1'H,2H-spiro[isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
Catalog ID
STL321933
SMILES CCOC(=O)N1CCC2(CC1)C1CN(CC=C1C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC
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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 C22H26N6O4 MW 438.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O4/c1-3-31-19(29)27-9-6-21(7-10-27)17-12-28(20(30)32-4-2)8-5-15(17)16(11-23)18(26)22(21,13-24)14-25/h5,17H,3-4,6-10,12,26H2,1-2H3InChIKey
GXPPJOTUIFGCJH-UHFFFAOYSA-NSynonyms
353462-57-4353462574
CCOC(=O)N1CCC2(CC1)C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC
diethyl6amino577tricyano1378atetrahydro1H2Hspiro(isoquinoline84piperidine)12dicarboxylate
diethyl6amino577tricyano78adihydro1Hspiro(isoquinoline84piperidine)12(3H)dicarboxylate
DIETHYL6AMINO577TRICYANOSPIRO(38ADIHYDRO1HISOQUINOLINE84PIPERIDINE)12DICARBOXYLATE
InChI=1SC22H26N6O4c133119(29)279621(71027)171228(20(30)3242)8515(17)16(1123)18(26)22(211324)1425h517H346101226H212H3
MFCD00848626
ZINC000002289189
ZINC000002289190
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