Vitas-M small molecule compound
(2E)-4-[5'-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrazol]-2'(4'H)-yl]-4-oxobut-2-enoic acid
Catalog ID
STK607253
SMILES COc1cc(ccc1OC)C1=NN(C2(C1)C(=O)Nc1c2cccc1)C(=O)/C=C/C(=O)O
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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 C22H19N3O6 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O6/c1-30-17-8-7-13(11-18(17)31-2)16-12-22(25(24-16)19(26)9-10-20(27)28)14-5-3-4-6-15(14)23-21(22)29/h3-11H,12H2,1-2H3,(H,23,29)(H,27,28)/b10-9+InChIKey
ZDXMWDWQHWRABJ-MDZDMXLPSA-NSynonyms
929814-91-5(2E)4(5(34dimethoxyphenyl)2oxo12dihydrospiro(indole33pyrazol)2(4H)yl)4oxobut2enoicacid
(E)4(3(34dimethoxyphenyl)2oxospiro(1Hindole354Hpyrazole)1yl)4oxobut2enoicacid
(E)4(5(34dimethoxyphenyl)2oxospiro(indoline33pyrazol)2(4H)yl)4oxobut2enoicacid
929814915
COC1=C(C=C(C=C1)C2=NN(C3(C2)C4=CC=CC=C4NC3=O)C(=O)C=CC(=O)O)OC
COc1cc(ccc1OC)C1=NN(C2(C1)C(=O)Nc1c2cccc1)C(=O)C=CC(=O)O
InChI=1SC22H19N3O6c130178713(1118(17)312)161222(25(2416)19(26)91020(27)28)14534615(14)2321(22)29h311H12H212H3(H2329)(H2728)b109+
MFCD08745398
ZINC000009183974
ZINC000009183975
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