Vitas-M small molecule compound
methyl 1-benzyl-6'-oxo-5',6'-dihydrospiro[piperidine-4,4'-tetrazolo[1,5-a][1,4]benzodiazepine]-9'-carboxylate
Catalog ID
STK507534
SMILES COC(=O)c1ccc2c(c1)n1nnnc1C1(NC2=O)CCN(CC1)Cc1ccccc1
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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 C22H22N6O3 MW 418.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3/c1-31-20(30)16-7-8-17-18(13-16)28-21(24-25-26-28)22(23-19(17)29)9-11-27(12-10-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,23,29)InChIKey
RLLDONAROVQCRE-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC2=C(C=C1)C(=O)NC3(CCN(CC3)CC4=CC=CC=C4)C5=NN=NN25
InChI=1SC22H22N6O3c13120(30)16781718(1316)2821(24252628)22(2319(17)29)91127(121022)14155324615h2813H91214H21H3(H2329)
METHYL1BENZYL6OXO56DIHYDROSPIRO(PIPERIDINE44TETRAAZOLO(15A)(14)BENZODIAZEPINE)9CARBOXYLATE
methyl1benzyl6oxo56dihydrospiro(piperidine44tetrazolo(15a)(14)benzodiazepine)9carboxylate
methyl1benzyl6oxospiro(5Htetrazolo(15a)(14)benzodiazepine44piperidine)9carboxylate
MFCD13369463
ZINC000035615772
ZINC35615772
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