Vitas-M small molecule compound
(2E)-4-[5'-(1,3-benzodioxol-5-yl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrazol]-2'(4'H)-yl]-4-oxobut-2-enoic acid
Catalog ID
STK611331
SMILES OC(=O)/C=C/C(=O)N1N=C(CC21C(=O)Nc1c2cccc1)c1ccc2c(c1)OCO2
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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 C21H15N3O6 MW 405.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O6/c25-18(7-8-19(26)27)24-21(13-3-1-2-4-14(13)22-20(21)28)10-15(23-24)12-5-6-16-17(9-12)30-11-29-16/h1-9H,10-11H2,(H,22,28)(H,26,27)/b8-7+InChIKey
IFCBJDOXMQZFIV-BQYQJAHWSA-NSynonyms
929871-48-7(2E)4(5(13benzodioxol5yl)2oxo12dihydrospiro(indole33pyrazol)2(4H)yl)4oxobut2enoicacid
(E)4(3(13benzodioxol5yl)2oxospiro(1Hindole354Hpyrazole)1yl)4oxobut2enoicacid
(E)4(5(benzo(d)(13)dioxol5yl)2oxospiro(indoline33pyrazol)2(4H)yl)4oxobut2enoicacid
929871487
C1C(=NN(C12C3=CC=CC=C3NC2=O)C(=O)C=CC(=O)O)C4=CC5=C(C=C4)OCO5
InChI=1SC21H15N3O6c2518(7819(26)27)2421(13312414(13)2220(21)28)1015(2324)12561617(912)30112916h19H1011H2(H2228)(H2627)b87+
MFCD08749937
OC(=O)C=CC(=O)N1N=C(CC21C(=O)Nc1c2cccc1)c1ccc2c(c1)OCO2
ZINC000009418829
ZINC000009418830
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