Vitas-M small molecule compound
ethyl 1-acetyl-5-(3-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK988423
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1)Br)C(=O)C
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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 C16H14BrN3O5 MW 408.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN3O5/c1-3-25-16(24)12-11-13(20(18-12)8(2)21)15(23)19(14(11)22)10-6-4-5-9(17)7-10/h4-7,11,13H,3H2,1-2H3InChIKey
KSKCWDFGQHXTPN-UHFFFAOYSA-NSynonyms
495381-38-9495381389
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=CC=C3)Br)C(=O)C
ethyl1acetyl5(3bromophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1ACETYL5(3BROMOPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H14BrN3O5c132516(24)121113(20(1812)8(2)21)15(23)19(14(11)22)106459(17)710h471113H3H212H3
MFCD02954361
ZINC000018102056
ZINC000101135867
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