Vitas-M small molecule compound
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,9-dimethyl-7-(3-methylpyridin-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK945346
SMILES Cc1cccnc1n1c2ncn3c(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 C23H19N7OS MW 441.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N7OS/c1-13-7-6-10-24-20(13)30-15(3)14(2)19-21(30)25-12-29-22(19)27-18(28-29)11-32-23-26-16-8-4-5-9-17(16)31-23/h4-10,12H,11H2,1-3H3InChIKey
YDBYPCASFPQJJV-UHFFFAOYSA-NSynonyms
950434-60-32((13benzoxazol2ylsulfanyl)methyl)89dimethyl7(3methylpyridin2yl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidine
950434603
CC1=C(N=CC=C1)N2C(=C(C3=C2N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6O5)C)C
InChI=1SC23H19N7OSc11376102420(13)3015(3)14(2)1921(30)25122922(19)2718(2829)1132232616845917(16)3123h41012H11H213H3
MFCD18180583
ZINC000021801604
ZINC21801604
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