Vitas-M small molecule compound
methyl 2-{4-[(4-ethoxyphenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL177036
SMILES CCOc1ccc(cc1)OCc1ccc(cc1)c1nc2n(n1)cnc1c2c(C)c(s1)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 C25H22N4O4S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S/c1-4-32-18-9-11-19(12-10-18)33-13-16-5-7-17(8-6-16)22-27-23-20-15(2)21(25(30)31-3)34-24(20)26-14-29(23)28-22/h5-12,14H,4,13H2,1-3H3InChIKey
BQSRARSLRJKKNI-UHFFFAOYSA-NSynonyms
832134-70-0832134700
CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)C(=C(S5)C(=O)OC)C
InChI=1SC25H22N4O4Sc14321891119(121018)3313165717(8616)2227232015(2)21(25(30)313)3424(20)261429(23)2822h51214H413H213H3
methyl2(4((4ethoxyphenoxy)methyl)phenyl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04133558
ZINC000002799681
ZINC02799681
ZINC2799681
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