Vitas-M small molecule compound
methyl 7-(2-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK980397
SMILES CCOc1cc(c(cc1O)Br)C1C(=C(C)Nc2n1ncn2)C(=O)OC
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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 C16H17BrN4O4 MW 409.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN4O4/c1-4-25-12-5-9(10(17)6-11(12)22)14-13(15(23)24-3)8(2)20-16-18-7-19-21(14)16/h5-7,14,22H,4H2,1-3H3,(H,18,19,20)InChIKey
RLOVQLICRJSQCD-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C(=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)OC)Br)O
InChI=1SC16H17BrN4O4c14251259(10(17)611(12)22)1413(15(23)243)8(2)20161871921(14)16h571422H4H213H3(H181920)
methyl7(2bromo5ethoxy4hydroxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
methyl7(2bromo5ethoxy4hydroxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
MFCD18181211
ZINC000044973334
ZINC000044973339
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