Vitas-M small molecule compound
6-amino-3-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK766164
SMILES N#CC1=C(N)Oc2c(C1c1ccc(c(c1)[N+](=O)[O-])Cl)c(n[nH]2)c1ccc2c(c1)OCO2
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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 C20H12ClN5O5 MW 437.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12ClN5O5/c21-12-3-1-9(5-13(12)26(27)28)16-11(7-22)19(23)31-20-17(16)18(24-25-20)10-2-4-14-15(6-10)30-8-29-14/h1-6,16H,8,23H2,(H,24,25)InChIKey
HTMLJDFUPUBMSB-UHFFFAOYSA-NSynonyms
6amino3(13benzodioxol5yl)4(4chloro3nitrophenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(13BENZODIOXOL5YL)4(4CHLORO3NITROPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
C1OC2=C(O1)C=C(C=C2)C3=C4C(C(=C(OC4=NN3)N)C#N)C5=CC(=C(C=C5)Cl)(N+)(=O)(O)
InChI=1SC20H12ClN5O5c2112319(513(12)26(27)28)1611(722)19(23)312017(16)18(242520)10241415(610)3082914h1616H823H2(H2425)
MFCD03035945
N#CC1=C(N)Oc2c(C1c1ccc(c(c1)(N+)(=O)(O))Cl)c(n(nH)2)c1ccc2c(c1)OCO2
ZINC000001001509
ZINC000008846304
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