Vitas-M small molecule compound
8'-bromo-2,2-dimethyl-2,3,5,6-tetrahydrospiro[pyran-4,4'-tetrazolo[1,5-a][1,4]benzodiazepin]-6'(5'H)-one
Catalog ID
STK507491
SMILES Brc1ccc2c(c1)C(=O)NC1(c3n2nnn3)CCOC(C1)(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 C15H16BrN5O2 MW 378.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16BrN5O2/c1-14(2)8-15(5-6-23-14)13-18-19-20-21(13)11-4-3-9(16)7-10(11)12(22)17-15/h3-4,7H,5-6,8H2,1-2H3,(H,17,22)InChIKey
CGKIUYQUVXOFHC-UHFFFAOYSA-NSynonyms
8bromo22dimethyl2356tetrahydrospiro(pyran44tetrazolo(15a)(14)benzodiazepin)6(5H)one
8bromo22dimethylspiro(5Htetrazolo(15a)(14)benzodiazepine44oxane)6one
CC1(CC2(CCO1)C3=NN=NN3C4=C(C=C(C=C4)Br)C(=O)N2)C
InChI=1SC15H16BrN5O2c114(2)815(562314)1318192021(13)11439(16)710(11)12(22)1715h347H568H212H3(H1722)
MFCD13369421
ZINC000035615810
ZINC000035615812
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