Vitas-M small molecule compound
8'-bromospiro[cyclohexane-1,4'-tetrazolo[1,5-a][1,4]benzodiazepin]-6'(5'H)-one
Catalog ID
STK507198
SMILES Brc1ccc2c(c1)C(=O)NC1(c3n2nnn3)CCCCC1
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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 C14H14BrN5O MW 348.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14BrN5O/c15-9-4-5-11-10(8-9)12(21)16-14(6-2-1-3-7-14)13-17-18-19-20(11)13/h4-5,8H,1-3,6-7H2,(H,16,21)InChIKey
YGXHQBCCINVMTL-UHFFFAOYSA-NSynonyms
8bromospiro(5Htetrazolo(15a)(14)benzodiazepine41cyclohexane)6one
8bromospiro(cyclohexane14tetrazolo(15a)(14)benzodiazepin)6(5H)one
C1CCC2(CC1)C3=NN=NN3C4=C(C=C(C=C4)Br)C(=O)N2
InChI=1SC14H14BrN5Oc159451110(89)12(21)1614(6213714)1317181920(11)13h458H1367H2(H1621)
MFCD13369142
ZINC000035622041
ZINC35622041
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