Vitas-M small molecule compound

{2-[(4S,7S)-3,5-dioxo-2-phenyl-7-(thiophen-2-yl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrazolo[3,4-b]quinolin-4-yl]phenoxy}acetic acid

Catalog ID
STK333850
SMILES OC(=O)COc1ccccc1[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(=O)n([nH]2)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 C28H23N3O5S MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5S/c32-20-14-16(22-11-6-12-37-22)13-19-25(20)24(18-9-4-5-10-21(18)36-15-23(33)34)26-27(29-19)30-31(28(26)35)17-7-2-1-3-8-17/h1-12,16,24,29-30H,13-15H2,(H,33,34)/t16-,24-/m0/s1
InChIKey
BEUCJCBNGKKQIM-FYSMJZIKSA-N
Synonyms

(2((4S7S)35dioxo2phenyl7(thiophen2yl)23456789octahydro1Hpyrazolo(34b)quinolin4yl)phenoxy)aceticacid
2(2((4S7S)35dioxo2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinolin4yl)phenoxy)aceticacid
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=CC=C4OCC(=O)O)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CS6
InChI=1SC28H23N3O5Sc32201416(22116123722)131925(20)24(189451021(18)361523(33)34)2627(2919)3031(28(26)35)177213817h11216242930H1315H2(H3334)t1624m0s1
MFCD13368623
OC(=O)COc1ccccc1(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
ZINC000018196382
ZINC18196382

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Available files

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