Vitas-M small molecule compound

(3aS,6aS)-3-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione

Catalog ID
STK544717
SMILES Brc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)c1ccccc1

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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 C25H18BrN3O4 MW 504.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O4/c26-16-8-6-15(7-9-16)22-21-23(29(27-22)17-4-2-1-3-5-17)25(31)28(24(21)30)18-10-11-19-20(14-18)33-13-12-32-19/h1-11,14,21,23H,12-13H2/t21-,23+/m1/s1
InChIKey
DDDQYESSUGWQCP-GGAORHGYSA-N
Synonyms
1014101-09-7
(3aS6aS)3(4bromophenyl)5(23dihydro14benzodioxin6yl)1phenyl3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
(3aS6aS)3(4bromophenyl)5(23dihydro14benzodioxin6yl)1phenyl3a6adihydropyrrolo(34c)pyrazole46dione
(3aS6aS)3(4bromophenyl)5(23dihydrobenzo(b)(14)dioxin6yl)1phenyl16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
1014101097
Brc1ccc(cc1)C1=NN((C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)c1ccccc1
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(C3=O)N(N=C4C5=CC=C(C=C5)Br)C6=CC=CC=C6
InChI=1SC25H18BrN3O4c26168615(7916)222123(29(2722)174213517)25(31)28(24(21)30)1810111920(1418)3313123219h111142123H1213H2t2123+m1s1
MFCD18242172
ZINC000100888315
ZINC100888315

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Available files

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