Vitas-M small molecule compound
benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)piperidine-1-carboxylate
Catalog ID
STK045567
SMILES N#CC1=C(N)OC2=C(C1C1CCN(CC1)C(=O)OCc1ccccc1)C(=O)CC(C2)(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 C25H29N3O4 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4/c1-25(2)12-19(29)22-20(13-25)32-23(27)18(14-26)21(22)17-8-10-28(11-9-17)24(30)31-15-16-6-4-3-5-7-16/h3-7,17,21H,8-13,15,27H2,1-2H3InChIKey
STZZDLOMENMGMS-UHFFFAOYSA-NSynonyms
benzyl4(2amino3cyano77dimethyl5oxo5678tetrahydro4Hchromen4yl)piperidine1carboxylate
BENZYL4(2AMINO3CYANO77DIMETHYL5OXO68DIHYDRO4HCHROMEN4YL)PIPERIDINE1CARBOXYLATE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)C1)C
InChI=1SC25H29N3O4c125(2)1219(29)2220(1325)3223(27)18(1426)21(22)1781028(11917)24(30)3115166435716h371721H8131527H212H3
MFCD02604246
N#CC1=C(N)OC2=C(C1C1CCN(CC1)C(=O)OCc1ccccc1)C(=O)CC(C2)(C)C
STK045567
ZINC000001143330
ZINC000001143333
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