Vitas-M small molecule compound
[6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1(2H)-yl]acetic acid
Catalog ID
STK677515
SMILES CCCCOc1ccc(cc1)c1n[nH]c2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)CC(=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 C26H23N5O5 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5/c1-2-3-12-35-16-10-8-15(9-11-16)22-21-24(30-29-22)36-23(28)18(13-27)26(21)17-6-4-5-7-19(17)31(25(26)34)14-20(32)33/h4-11H,2-3,12,14,28H2,1H3,(H,29,30)(H,32,33)InChIKey
AGYPNSOCGRWEGS-UHFFFAOYSA-NSynonyms
(6amino3(4butoxyphenyl)5cyano2oxo1Hspiro(indole34pyrano(23c)pyrazol)1(2H)yl)aceticacid
2(6AMINO3(4BUTOXYPHENYL)5CYANO2OXOSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)1YL)ACETICACID
CCCCOC1=CC=C(C=C1)C2=C3C(=NN2)OC(=C(C34C5=CC=CC=C5N(C4=O)CC(=O)O)C#N)N
CCCCOc1ccc(cc1)c1n(nH)c2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)CC(=O)O
InChI=1SC26H23N5O5c12312351610815(91116)222124(302922)3623(28)18(1327)26(21)17645719(17)31(25(26)34)1420(32)33h411H23121428H21H3(H2930)(H3233)
MFCD03035509
ZINC000008439717
ZINC000008439718
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