Vitas-M small molecule compound
ethyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate
Catalog ID
STL005248
SMILES CCOC(=O)Cc1n[nH]c2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)Cc1ccc(cc1)Cl
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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 C25H20ClN5O4 MW 489.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O4/c1-2-34-20(32)11-18-21-23(30-29-18)35-22(28)17(12-27)25(21)16-5-3-4-6-19(16)31(24(25)33)13-14-7-9-15(26)10-8-14/h3-10H,2,11,13,28H2,1H3,(H,29,30)InChIKey
YXSNOYYLDAIWFB-UHFFFAOYSA-NSynonyms
847337-27-3847337273
CCOC(=O)CC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)Cl)C#N)N
CCOC(=O)Cc1n(nH)c2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)Cc1ccc(cc1)Cl
ethyl(6amino1(4chlorobenzyl)5cyano2oxo12dihydro1Hspiro(indole34pyrano(23c)pyrazol)3yl)acetate
ETHYL2(6AMINO1((4CHLOROPHENYL)METHYL)5CYANO2OXOSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)3YL)ACETATE
ethyl2(6amino1(4chlorobenzyl)5cyano2oxo1Hspiro(indoline34pyrano(23c)pyrazol)3yl)acetate
InChI=1SC25H20ClN5O4c123420(32)11182123(302918)3522(28)17(1227)25(21)16534619(16)31(24(25)33)13147915(26)10814h310H2111328H21H3(H2930)
MFCD04179804
ZINC000009158612
ZINC000009160083
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