Vitas-M small molecule compound
(2E)-4-[5'-(4-methoxyphenyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrazol]-2'(4'H)-yl]-4-oxobut-2-enoic acid
Catalog ID
STK613282
SMILES COc1ccc(cc1)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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c1-29-14-8-6-13(7-9-14)17-12-21(24(23-17)18(25)10-11-19(26)27)15-4-2-3-5-16(15)22-20(21)28/h2-11H,12H2,1H3,(H,22,28)(H,26,27)/b11-10+InChIKey
NNRWGKIAIGUMQX-ZHACJKMWSA-NSynonyms
929853-65-6(2E)4(5(4methoxyphenyl)2oxo12dihydrospiro(indole33pyrazol)2(4H)yl)4oxobut2enoicacid
(E)4(3(4methoxyphenyl)2oxospiro(1Hindole354Hpyrazole)1yl)4oxobut2enoicacid
(E)4(5(4methoxyphenyl)2oxospiro(indoline33pyrazol)2(4H)yl)4oxobut2enoicacid
929853656
COC1=CC=C(C=C1)C2=NN(C3(C2)C4=CC=CC=C4NC3=O)C(=O)C=CC(=O)O
COc1ccc(cc1)C1=NN(C2(C1)C(=O)Nc1c2cccc1)C(=O)C=CC(=O)O
InChI=1SC21H17N3O5c129148613(7914)171221(24(2317)18(25)101119(26)27)15423516(15)2220(21)28h211H12H21H3(H2228)(H2627)b1110+
MFCD08748274
ZINC000009340718
ZINC000009340719
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