Vitas-M small molecule compound

methyl 6-(3,4-dimethoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

Catalog ID
STK687781
SMILES COC(=O)C1=C(c2ccc(c(c2)OC)OC)C(n2c(N1)nnn2)c1ccccc1

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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 C20H19N5O4 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4/c1-27-14-10-9-13(11-15(14)28-2)16-17(19(26)29-3)21-20-22-23-24-25(20)18(16)12-7-5-4-6-8-12/h4-11,18H,1-3H3,(H,21,22,24)
InChIKey
JOHMFIAVWJJTCT-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C2=C(N=C3N=NNN3C2C4=CC=CC=C4)C(=O)OC)OC
InChI=1SC20H19N5O4c1271410913(1115(14)282)1617(19(26)293)212022232425(20)18(16)127546812h41118H13H3(H212224)
METHYL6(34DIMETHOXYPHENYL)7PHENYL17DIHYDROTETRAZOLO(15A)PYRIMIDINE5CARBOXYLATE
methyl6(34dimethoxyphenyl)7phenyl47dihydrotetrazolo(15a)pyrimidine5carboxylate
MFCD07021733
ZINC000004754082
ZINC000004754084

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.