Vitas-M small molecule compound

methyl [6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate

Catalog ID
STK693743
SMILES COC(=O)Cc1[nH]nc2c1C(c1cc(OC)c3c(c1)OCO3)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 C18H16N4O6 MW 384.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O6/c1-24-11-3-8(4-12-16(11)27-7-26-12)14-9(6-19)17(20)28-18-15(14)10(21-22-18)5-13(23)25-2/h3-4,14H,5,7,20H2,1-2H3,(H,21,22)
InChIKey
CKEMDZVHOKNDRL-UHFFFAOYSA-N
Synonyms

COC(=O)Cc1(nH)nc2c1C(c1cc(OC)c3c(c1)OCO3)C(=C(O2)N)C#N
COC1=CC(=CC2=C1OCO2)C3C(=C(OC4=NNC(=C34)CC(=O)OC)N)C#N
InChI=1SC18H16N4O6c1241138(41216(11)2772612)149(619)17(20)281815(14)10(212218)513(23)252h3414H5720H212H3(H2122)
methyl(6amino5cyano4(7methoxy13benzodioxol5yl)24dihydropyrano(23c)pyrazol3yl)acetate
methyl2(6amino5cyano4(7methoxy13benzodioxol5yl)24dihydropyrano(23c)pyrazol3yl)acetate
MFCD12033828
ZINC000015108070
ZINC000015108072

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Available files

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