Vitas-M small molecule compound
methyl 4-methyl-6'-oxo-5',6'-dihydrospiro[cyclohexane-1,4'-tetrazolo[1,5-a][1,4]benzodiazepine]-9'-carboxylate
Catalog ID
STK507535
SMILES COC(=O)c1ccc2c(c1)n1nnnc1C1(NC2=O)CCC(CC1)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 C17H19N5O3 MW 341.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O3/c1-10-5-7-17(8-6-10)16-19-20-21-22(16)13-9-11(15(24)25-2)3-4-12(13)14(23)18-17/h3-4,9-10H,5-8H2,1-2H3,(H,18,23)InChIKey
LHVRDBDAJCZHCZ-UHFFFAOYSA-NSynonyms
4METHYL6OXO56DIHYDROSPIRO(4HTETRAZOLO(15A)(14)BENZODIAZEPINE41CYCLOHEXANE)9CARBOXYLICACIDMETHYLESTER
CC1CCC2(CC1)C3=NN=NN3C4=C(C=CC(=C4)C(=O)OC)C(=O)N2
InChI=1SC17H19N5O3c1105717(8610)1619202122(16)13911(15(24)252)3412(13)14(23)1817h34910H58H212H3(H1823)
METHYL4METHYL6OXO56DIHYDROSPIRO(CYCLOHEXANE14TETRAAZOLO(15A)(14)BENZODIAZEPINE)9CARBOXYLATE
methyl4methyl6oxo56dihydrospiro(cyclohexane14tetrazolo(15a)(14)benzodiazepine)9carboxylate
methyl4methyl6oxospiro(5Htetrazolo(15a)(14)benzodiazepine41cyclohexane)9carboxylate
MFCD13369464
ZINC000035615770
ZINC35615770
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