Vitas-M small molecule compound
2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL401950
SMILES COc1ccc(cc1)c1[nH]nc(c1)c1nn2c(n1)c1c(nc2)sc2c1CCCC2
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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 C21H18N6OS MW 402.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6OS/c1-28-13-8-6-12(7-9-13)15-10-16(25-24-15)19-23-20-18-14-4-2-3-5-17(14)29-21(18)22-11-27(20)26-19/h6-11H,2-5H2,1H3,(H,24,25)InChIKey
RSBOUQRGPFEFMJ-UHFFFAOYSA-NSynonyms
1038991-08-01038991080
2(5(4methoxyphenyl)1Hpyrazol3yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN4C=NC5=C(C4=N3)C6=C(S5)CCCC6
COc1ccc(cc1)c1(nH)nc(c1)c1nn2c(n1)c1c(nc2)sc2c1CCCC2
InChI=1SC21H18N6OSc128138612(7913)151016(252415)1923201814423517(14)2921(18)221127(20)2619h611H25H21H3(H2425)
MFCD04129938
ZINC000006289786
ZINC06289786
ZINC6289786
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