Vitas-M small molecule compound
ethyl [6'-amino-5'-cyano-1-(phenylcarbonyl)-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate
Catalog ID
STK775491
SMILES CCOC(=O)Cc1[nH]nc2c1C1(CCN(CC1)C(=O)c1ccccc1)C(=C(O2)N)C#N
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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 C22H23N5O4 MW 421.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4/c1-2-30-17(28)12-16-18-20(26-25-16)31-19(24)15(13-23)22(18)8-10-27(11-9-22)21(29)14-6-4-3-5-7-14/h3-7H,2,8-12,24H2,1H3,(H,25,26)InChIKey
ITKHDDYXIYQANK-UHFFFAOYSA-NSynonyms
CCOC(=O)Cc1(nH)nc2c1C1(CCN(CC1)C(=O)c1ccccc1)C(=C(O2)N)C#N
CCOC(=O)CC1=C2C(=NN1)OC(=C(C23CCN(CC3)C(=O)C4=CC=CC=C4)C#N)N
ethyl(6amino5cyano1(phenylcarbonyl)2Hspiro(piperidine44pyrano(23c)pyrazol)3yl)acetate
ETHYL2(6AMINO1BENZOYL5CYANOSPIRO(2HPYRANO(23C)PYRAZOLE44PIPERIDINE)3YL)ACETATE
ETHYL2(6AMINO5CYANO10(PHENYLCARBONYL)SPIRO(4HPYRANO(23C)PYRAZOLE44PIPERIDINE)3YL)ACETATE
InChI=1SC22H23N5O4c123017(28)12161820(262516)3119(24)15(1323)22(18)81027(11922)21(29)146435714h37H281224H21H3(H2526)
MFCD05257436
ZINC000004625110
ZINC04625110
ZINC4625110
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