Vitas-M small molecule compound
[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl][3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK305897
SMILES FC(C1=NN(C(C1)(O)C(F)F)C(=O)c1n[nH]c(c1)c1ccc2c(c1)OCO2)F
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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 C16H12F4N4O4 MW 400.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F4N4O4/c17-13(18)10-5-16(26,15(19)20)24(23-10)14(25)9-4-8(21-22-9)7-1-2-11-12(3-7)28-6-27-11/h1-4,13,15,26H,5-6H2,(H,21,22)InChIKey
JNMUUCJHKVYFGQ-UHFFFAOYSA-NSynonyms
1039009-29-4(3(13BENZODIOXOL5YL)1HPYRAZOL5YL)(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)METHANONE
(5(13benzodioxol5yl)1Hpyrazol3yl)(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)methanone
1039009294
C1C(=NN(C1(C(F)F)O)C(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)C(F)F
FC(C1=NN(C(C1)(O)C(F)F)C(=O)c1n(nH)c(c1)c1ccc2c(c1)OCO2)F
InChI=1SC16H12F4N4O4c1713(18)10516(2615(19)20)24(2310)14(25)948(21229)7121112(37)2862711h14131526H56H2(H2122)
MFCD04046695
ZINC000006414104
ZINC000006829265
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