Vitas-M small molecule compound
cyclohexyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL190872
SMILES COc1ccc(cc1Br)C1C(=C(C)Nc2n1nnn2)C(=O)OC1CCCCC1
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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 C19H22BrN5O3 MW 448.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrN5O3/c1-11-16(18(26)28-13-6-4-3-5-7-13)17(25-19(21-11)22-23-24-25)12-8-9-15(27-2)14(20)10-12/h8-10,13,17H,3-7H2,1-2H3,(H,21,22,24)InChIKey
ZSNGYJXAGQCRGG-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=NN2)C3=CC(=C(C=C3)OC)Br)C(=O)OC4CCCCC4
cyclohexyl7(3bromo4methoxyphenyl)5methyl17dihydrotetrazolo(15a)pyrimidine6carboxylate
cyclohexyl7(3bromo4methoxyphenyl)5methyl47dihydrotetrazolo(15a)pyrimidine6carboxylate
InChI=1SC19H22BrN5O3c11116(18(26)28136435713)17(2519(2111)22232425)128915(272)14(20)1012h8101317H37H212H3(H212224)
MFCD08831168
ZINC000001291832
ZINC000001291833
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