Vitas-M small molecule compound

4-[(3aS,6aS)-3-(4-methoxyphenyl)-4,6-dioxo-1-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazol-5(1H)-yl]phenyl acetate

Catalog ID
STK543009
SMILES COc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C)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 C26H21N3O5 MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O5/c1-16(30)34-21-14-10-18(11-15-21)28-25(31)22-23(17-8-12-20(33-2)13-9-17)27-29(24(22)26(28)32)19-6-4-3-5-7-19/h3-15,22,24H,1-2H3/t22-,24+/m1/s1
InChIKey
UYUXISBWODJUMD-VWNXMTODSA-N
Synonyms
1014059-64-3
(4((3aS6aS)3(4methoxyphenyl)46dioxo1phenyl3a6adihydropyrrolo(34c)pyrazol5yl)phenyl)acetate
1014059643
4((3aS6aS)3(4methoxyphenyl)46dioxo1phenyl3a466atetrahydropyrrolo(34c)pyrazol5(1H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5
COc1ccc(cc1)C1=NN((C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C)c1ccccc1
InChI=1SC26H21N3O5c116(30)3421141018(111521)2825(31)2223(1781220(332)13917)2729(24(22)26(28)32)196435719h3152224H12H3t2224+m1s1
MFCD18242044
ZINC000100901871
ZINC100901871

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Available files

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