Vitas-M small molecule compound
9-tert-butyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL400042
SMILES Cc1ccn(n1)CCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
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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 C21H26N6S MW 394.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6S/c1-13-7-9-26(24-13)10-8-17-23-19-18-15-6-5-14(21(2,3)4)11-16(15)28-20(18)22-12-27(19)25-17/h7,9,12,14H,5-6,8,10-11H2,1-4H3InChIKey
GGWXPPWJNFDCOZ-UHFFFAOYSA-NSynonyms
1005561-03-41005561034
9tertbutyl2(2(3methyl1Hpyrazol1yl)ethyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1=NN(C=C1)CCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CC(CC5)C(C)(C)C
InChI=1SC21H26N6Sc1137926(2413)10817231918156514(21(23)4)1116(15)2820(18)221227(19)2517h791214H5681011H214H3
MFCD04051645
ZINC000002801270
ZINC000002801271
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