Vitas-M small molecule compound
methyl 6'-amino-1-(2-chlorobenzyl)-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STK539891
SMILES COC(=O)C1=C(CC(=O)OC)OC(=C(C21c1ccccc1N(C2=O)Cc1ccccc1Cl)C#N)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 C25H20ClN3O6 MW 493.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O6/c1-33-20(30)11-19-21(23(31)34-2)25(16(12-27)22(28)35-19)15-8-4-6-10-18(15)29(24(25)32)13-14-7-3-5-9-17(14)26/h3-10H,11,13,28H2,1-2H3InChIKey
UGEVBRUGONBLDE-UHFFFAOYSA-NSynonyms
354556-76-6354556766
COC(=O)CC1=C(C2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4Cl)C(=C(O1)N)C#N)C(=O)OC
InChI=1SC25H20ClN3O6c13320(30)111921(23(31)342)25(16(1227)22(28)3519)158461018(15)29(24(25)32)1314735917(14)26h310H111328H212H3
methyl2amino1(2chlorobenzyl)3cyano6(2methoxy2oxoethyl)2oxospiro(indoline34pyran)5carboxylate
METHYL6AMINO1((2CHLOROPHENYL)METHYL)5CYANO2(2METHOXY2OXOETHYL)2OXOSPIRO(INDOLE34PYRAN)3CARBOXYLATE
methyl6amino1(2chlorobenzyl)5cyano2(2methoxy2oxoethyl)2oxo12dihydrospiro(indole34pyran)3carboxylate
MFCD02326105
ZINC000000968947
ZINC000000968948
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