Vitas-M small molecule compound
6-amino-3-(1,3-benzodioxol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK996304
SMILES N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(F)(F)F)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 C21H13F3N4O3 MW 426.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13F3N4O3/c22-21(23,24)12-4-1-10(2-5-12)16-13(8-25)19(26)31-20-17(16)18(27-28-20)11-3-6-14-15(7-11)30-9-29-14/h1-7,16H,9,26H2,(H,27,28)InChIKey
LKPZGDTVZOPLSC-UHFFFAOYSA-NSynonyms
6amino3(13benzodioxol5yl)4(4(trifluoromethyl)phenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(13BENZODIOXOL5YL)4(4(TRIFLUOROMETHYL)PHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
C1OC2=C(O1)C=C(C=C2)C3=C4C(C(=C(OC4=NN3)N)C#N)C5=CC=C(C=C5)C(F)(F)F
InChI=1SC21H13F3N4O3c2221(2324)124110(2512)1613(825)19(26)312017(16)18(272820)11361415(711)3092914h1716H926H2(H2728)
MFCD01971832
N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(F)(F)F)c(n(nH)2)c1ccc2c(c1)OCO2
ZINC000006445636
ZINC000006445691
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