Vitas-M small molecule compound
cyclohexyl 7-(2-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL190930
SMILES CC1=C(C(=O)OC2CCCCC2)C(n2c(N1)nnn2)c1ccccc1Br
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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 C18H20BrN5O2 MW 418.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN5O2/c1-11-15(17(25)26-12-7-3-2-4-8-12)16(13-9-5-6-10-14(13)19)24-18(20-11)21-22-23-24/h5-6,9-10,12,16H,2-4,7-8H2,1H3,(H,20,21,23)InChIKey
IIJQAQUSCLSCBH-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=NN2)C3=CC=CC=C3Br)C(=O)OC4CCCCC4
cyclohexyl7(2bromophenyl)5methyl17dihydrotetrazolo(15a)pyrimidine6carboxylate
cyclohexyl7(2bromophenyl)5methyl47dihydrotetrazolo(15a)pyrimidine6carboxylate
InChI=1SC18H20BrN5O2c11115(17(25)26127324812)16(139561014(13)19)2418(2011)21222324h569101216H2478H21H3(H202123)
MFCD22390134
ZINC000045896107
ZINC000045896108
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