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}propan-1-ol
Catalog ID
STK609679
SMILES OCCCn1c2ncn3c(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 C20H20N6O2S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O2S/c1-12-13(2)25(8-5-9-27)18-17(12)19-23-16(24-26(19)11-21-18)10-29-20-22-14-6-3-4-7-15(14)28-20/h3-4,6-7,11,27H,5,8-10H2,1-2H3InChIKey
WUWCZEYLVOPKKP-UHFFFAOYSA-NSynonyms
921135-15-13(2((13benzoxazol2ylsulfanyl)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)propan1ol
3(2((benzo(d)oxazol2ylthio)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)propan1ol
921135151
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CSC4=NC5=CC=CC=C5O4)CCCO)C
InChI=1SC20H20N6O2Sc11213(2)25(85927)1817(12)192316(2426(19)112118)1029202214634715(14)2820h34671127H5810H212H3
MFCD08746350
ZINC000009303695
ZINC09303695
ZINC9303695
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