Vitas-M small molecule compound
ethyl 2-{[7-(4-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}butanoate
Catalog ID
STL042494
SMILES CCOC(=O)C(Sc1nnc2n1cnc1c2cnn1c1ccc(cc1)F)CC
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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 C18H17FN6O2S MW 400.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17FN6O2S/c1-3-14(17(26)27-4-2)28-18-23-22-16-13-9-21-25(15(13)20-10-24(16)18)12-7-5-11(19)6-8-12/h5-10,14H,3-4H2,1-2H3InChIKey
LFCGVIDOGNLIEJ-UHFFFAOYSA-NSynonyms
846592-50-5846592505
CCC(C(=O)OCC)SC1=NN=C2N1C=NC3=C2C=NN3C4=CC=C(C=C4)F
ethyl2((7(4fluorophenyl)7Hpyrazolo(43e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)butanoate
ethyl2((7(4fluorophenyl)7Hpyrazolo(43e)(124)triazolo(43c)pyrimidin3yl)thio)butanoate
InChI=1SC18H17FN6O2Sc1314(17(26)2742)28182322161392125(15(13)201024(16)18)127511(19)6812h51014H34H212H3
MFCD04176097
ZINC000005215871
ZINC000005215873
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