Vitas-M small molecule compound
methyl 2-{[7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}propanoate
Catalog ID
STL342484
SMILES COC(=O)C(Sc1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)C)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 C17H15ClN6O2S MW 402.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN6O2S/c1-9-4-5-11(6-13(9)18)24-14-12(7-20-24)15-21-22-17(23(15)8-19-14)27-10(2)16(25)26-3/h4-8,10H,1-3H3InChIKey
QHAPPWOEJLNLAV-UHFFFAOYSA-NSynonyms
844455-52-3844455523
CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)SC(C)C(=O)OC)Cl
InChI=1SC17H15ClN6O2Sc194511(613(9)18)241412(72024)15212217(23(15)81914)2710(2)16(25)263h4810H13H3
METHYL(2R)2((7(3CHLORO4METHYLPHENYL)7HPYRAZOLO(43E)(124)TRIAZOLO(43C)PYRIMIDIN3YL)SULFANYL)PROPANOATE
methyl2((7(3chloro4methylphenyl)7Hpyrazolo(43e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)propanoate
methyl2((7(3chloro4methylphenyl)7Hpyrazolo(43e)(124)triazolo(43c)pyrimidin3yl)thio)propanoate
MFCD04155423
ZINC000002400704
ZINC000002400705
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