Vitas-M small molecule compound
(2E)-4-[5'-(2,5-dimethoxyphenyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrazol]-2'(4'H)-yl]-4-oxobut-2-enoic acid
Catalog ID
STL241420
SMILES COc1ccc(c(c1)C1=NN(C2(C1)C(=O)Nc1c2cccc1)C(=O)/C=C/C(=O)O)OC
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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/c1-30-13-7-8-18(31-2)14(11-13)17-12-22(25(24-17)19(26)9-10-20(27)28)15-5-3-4-6-16(15)23-21(22)29/h3-11H,12H2,1-2H3,(H,23,29)(H,27,28)/b10-9+InChIKey
CTOLMDNHACWUCB-MDZDMXLPSA-NSynonyms
929829-83-4(2E)4(5(25dimethoxyphenyl)2oxo12dihydrospiro(indole33pyrazol)2(4H)yl)4oxobut2enoicacid
(E)4(3(25dimethoxyphenyl)2oxospiro(1Hindole354Hpyrazole)1yl)4oxobut2enoicacid
(E)4(5(25dimethoxyphenyl)2oxospiro(indoline33pyrazol)2(4H)yl)4oxobut2enoicacid
929829834
COC1=CC(=C(C=C1)OC)C2=NN(C3(C2)C4=CC=CC=C4NC3=O)C(=O)C=CC(=O)O
COc1ccc(c(c1)C1=NN(C2(C1)C(=O)Nc1c2cccc1)C(=O)C=CC(=O)O)OC
InChI=1SC22H19N3O6c130137818(312)14(1113)171222(25(2417)19(26)91020(27)28)15534616(15)2321(22)29h311H12H212H3(H2329)(H2728)b109+
MFCD08743505
ZINC000009134291
ZINC000009134292
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