Vitas-M small molecule compound
3-{2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine
Catalog ID
STK601071
SMILES CN(CCCn1c2ncn3c(c2c(c1C)C)nc(n3)CSc1nc2c(o1)cccc2)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 C22H25N7OS MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N7OS/c1-14-15(2)28(11-7-10-27(3)4)20-19(14)21-25-18(26-29(21)13-23-20)12-31-22-24-16-8-5-6-9-17(16)30-22/h5-6,8-9,13H,7,10-12H2,1-4H3InChIKey
VFTVANBEBNNKRB-UHFFFAOYSA-NSynonyms
903849-45-63(2((13benzoxazol2ylsulfanyl)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)NNdimethylpropan1amine
3(2((benzo(d)oxazol2ylthio)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)NNdimethylpropan1amine
903849456
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CSC4=NC5=CC=CC=C5O4)CCCN(C)C)C
InChI=1SC22H25N7OSc11415(2)28(1171027(3)4)2019(14)212518(2629(21)132320)1231222416856917(16)3022h568913H71012H214H3
MFCD08293006
ZINC000009059485
ZINC9059485
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