Vitas-M small molecule compound
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-7-(furan-2-ylmethyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK607831
SMILES Cc1c(C)c2c(n1Cc1ccco1)ncn1c2nc(n1)CSc1nc2c(s1)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 C22H18N6OS2 MW 446.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6OS2/c1-13-14(2)27(10-15-6-5-9-29-15)20-19(13)21-25-18(26-28(21)12-23-20)11-30-22-24-16-7-3-4-8-17(16)31-22/h3-9,12H,10-11H2,1-2H3InChIKey
ZDYTUHYGOPAUIE-UHFFFAOYSA-NSynonyms
903856-90-62(((7(furan2ylmethyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)methyl)thio)benzo(d)thiazole
2((13benzothiazol2ylsulfanyl)methyl)7(furan2ylmethyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidine
903856906
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CSC4=NC5=CC=CC=C5S4)CC6=CC=CO6)C
InChI=1SC22H18N6OS2c11314(2)27(10156592915)2019(13)212518(2628(21)122320)1130222416734817(16)3122h3912H1011H212H3
MFCD08286718
ZINC000013593623
ZINC13593623
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