Vitas-M small molecule compound

methyl 6'-amino-5'-cyano-1-(2-fluorobenzyl)-2'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate

Catalog ID
STK850526
SMILES COC(=O)C1=C(CC(=O)OC)OC(=C(C21c1ccccc1N(C2=O)Cc1ccccc1F)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 C25H20FN3O6 MW 477.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O6/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,11,13,28H2,1-2H3
InChIKey
SUEKENXNSBYEIQ-UHFFFAOYSA-N
Synonyms
445390-89-6
445390896
COC(=O)CC1=C(C2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4F)C(=C(O1)N)C#N)C(=O)OC
InChI=1SC25H20FN3O6c13320(30)111921(23(31)342)25(16(1227)22(28)3519)158461018(15)29(24(25)32)1314735917(14)26h310H111328H212H3
methyl2amino3cyano1(2fluorobenzyl)6(2methoxy2oxoethyl)2oxospiro(indoline34pyran)5carboxylate
METHYL6AMINO5CYANO1((2FLUOROPHENYL)METHYL)2(2METHOXY2OXOETHYL)2OXOSPIRO(INDOLE34PYRAN)3CARBOXYLATE
methyl6amino5cyano1(2fluorobenzyl)2(2methoxy2oxoethyl)2oxo12dihydrospiro(indole34pyran)3carboxylate
METHYL6AMINO5CYANO13DIHYDRO1(2FLUOROBENZYL)2(2METHOXY2OXOETHYL)2OXOSPIRO(4HPYRAN43(2H)INDOLE)3CARBOXYLATE
MFCD03234769
ZINC000000663781
ZINC000000663783

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.