Vitas-M small molecule compound
2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL176746
SMILES COc1ccc(cc1COc1ccc(c(c1)C)Cl)c1nn2c(n1)c1c(nc2)sc2c1CCC2
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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 C25H21ClN4O2S MW 476.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O2S/c1-14-10-17(7-8-19(14)26)32-12-16-11-15(6-9-20(16)31-2)23-28-24-22-18-4-3-5-21(18)33-25(22)27-13-30(24)29-23/h6-11,13H,3-5,12H2,1-2H3InChIKey
WTBBUQUDPYYLIG-UHFFFAOYSA-NSynonyms
677328-51-72(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(15c)pyrimidine
677328517
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3=NN4C=NC5=C(C4=N3)C6=C(S5)CCC6)OC)Cl
InChI=1SC25H21ClN4O2Sc1141017(7819(14)26)3212161115(6920(16)312)232824221843521(18)3325(22)271330(24)2923h61113H3512H212H3
MFCD04050671
ZINC000002786288
ZINC02786288
ZINC2786288
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