Vitas-M small molecule compound
benzyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK523454
SMILES O=C1N(c2ccc(c(c2)F)Cl)C(=O)C2C1C(=NN2)C(=O)OCc1ccccc1
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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 C19H13ClFN3O4 MW 401.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClFN3O4/c20-12-7-6-11(8-13(12)21)24-17(25)14-15(18(24)26)22-23-16(14)19(27)28-9-10-4-2-1-3-5-10/h1-8,14-15,22H,9H2InChIKey
BVYZWNAJSRGEHM-UHFFFAOYSA-NSynonyms
benzyl5(4chloro3fluorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
BENZYL5(4CHLORO3FLUOROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
C1=CC=C(C=C1)COC(=O)C2=NNC3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)F
InChI=1SC19H13ClFN3O4c20127611(813(12)21)2417(25)1415(18(24)26)222316(14)19(27)289104213510h18141522H9H2
MFCD06618574
ZINC000004751586
ZINC000100208429
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