Vitas-M small molecule compound
1-benzyl-8'-bromospiro[piperidine-4,4'-tetrazolo[1,5-a][1,4]benzodiazepin]-6'(5'H)-one
Catalog ID
STK507200
SMILES Brc1ccc2c(c1)C(=O)NC1(c3n2nnn3)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 C20H19BrN6O MW 439.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN6O/c21-15-6-7-17-16(12-15)18(28)22-20(19-23-24-25-27(17)19)8-10-26(11-9-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,28)InChIKey
BKTQOAATIPNNMM-UHFFFAOYSA-NSynonyms
1benzyl8bromospiro(5Htetrazolo(15a)(14)benzodiazepine44piperidine)6one
1benzyl8bromospiro(piperidine44tetrazolo(15a)(14)benzodiazepin)6(5H)one
C1CN(CCC12C3=NN=NN3C4=C(C=C(C=C4)Br)C(=O)N2)CC5=CC=CC=C5
InChI=1SC20H19BrN6Oc2115671716(1215)18(28)2220(1923242527(17)19)81026(11920)13144213514h1712H81113H2(H2228)
MFCD13369144
ZINC000035622044
ZINC35622044
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