Vitas-M small molecule compound
methyl 4-[6-amino-5-cyano-3-(methoxymethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Catalog ID
STL046721
SMILES COCc1n[nH]c2c1C(c1ccc(cc1)C(=O)OC)C(=C(O2)N)C#N
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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 C17H16N4O4 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O4/c1-23-8-12-14-13(9-3-5-10(6-4-9)17(22)24-2)11(7-18)15(19)25-16(14)21-20-12/h3-6,13H,8,19H2,1-2H3,(H,20,21)InChIKey
SOPJJOIJMPXHLH-UHFFFAOYSA-NSynonyms
354554-74-8354554748
COCc1(nH)nc2c1C(c1ccc(cc1)C(=O)OC)C(=C(O2)N)C#N
COCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)C(=O)OC
COCc1n(nH)c2c1C(c1ccc(cc1)C(=O)OC)C(=C(O2)N)C#N
InChI=1SC17H16N4O4c1238121413(93510(649)17(22)242)11(718)15(19)2516(14)212012h3613H819H212H3(H2021)
methyl4(6amino5cyano3(methoxymethyl)14dihydropyrano(23c)pyrazol4yl)benzoate
METHYL4(6AMINO5CYANO3(METHOXYMETHYL)24DIHYDROPYRANO(23C)PYRAZOL4YL)BENZOATE
MFCD03805847
ZINC000004870487
ZINC000004870488
ZINC00541544
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