Vitas-M small molecule compound

1-tert-butyl 9'-methyl 6'-oxo-5',6'-dihydro-1H-spiro[piperidine-4,4'-tetrazolo[1,5-a][1,4]benzodiazepine]-1,9'-dicarboxylate

Catalog ID
STK507196
SMILES COC(=O)c1ccc2c(c1)n1nnnc1C1(NC2=O)CCN(CC1)C(=O)OC(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 C20H24N6O5 MW 428.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O5/c1-19(2,3)31-18(29)25-9-7-20(8-10-25)17-22-23-24-26(17)14-11-12(16(28)30-4)5-6-13(14)15(27)21-20/h5-6,11H,7-10H2,1-4H3,(H,21,27)
InChIKey
LHGVAXXJZLZDRH-UHFFFAOYSA-N
Synonyms

1Otertbutyl9Omethyl6oxospiro(5Htetrazolo(15a)(14)benzodiazepine44piperidine)19dicarboxylate
1tertbutyl9methyl6oxo56dihydro1Hspiro(piperidine44tetrazolo(15a)(14)benzodiazepine)19dicarboxylate
6OXO56DIHYDROSPIRO(4HTETRAZOLO(15A)(14)BENZODIAZEPINE44PIPERIDINE)19DICARBOXYLICACID1TERTBUTYL9METHYLESTER
CC(C)(C)OC(=O)N1CCC2(CC1)C3=NN=NN3C4=C(C=CC(=C4)C(=O)OC)C(=O)N2
InChI=1SC20H24N6O5c119(23)3118(29)259720(81025)1722232426(17)141112(16(28)304)5613(14)15(27)2120h5611H710H214H3(H2127)
MFCD13369140
ZINC000035615793
ZINC35615793

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Available files

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