Vitas-M small molecule compound
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK945452
SMILES Clc1ccccc1n1c2ncn3c(c2c(c1C)C)nc(n3)CSc1nc2c(o1)cccc2
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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 C23H17ClN6OS MW 460.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN6OS/c1-13-14(2)30(17-9-5-3-7-15(17)24)21-20(13)22-27-19(28-29(22)12-25-21)11-32-23-26-16-8-4-6-10-18(16)31-23/h3-10,12H,11H2,1-2H3InChIKey
JZXVOYGQYRGELC-UHFFFAOYSA-NSynonyms
2((13benzoxazol2ylsulfanyl)methyl)7(2chlorophenyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidine
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CSC4=NC5=CC=CC=C5O4)C6=CC=CC=C6Cl)C
InChI=1SC23H17ClN6OSc11314(2)30(17953715(17)24)2120(13)222719(2829(22)122521)11322326168461018(16)3123h31012H11H212H3
MFCD18180633
ZINC000021801793
ZINC21801793
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