Vitas-M small molecule compound
benzyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STK863680
SMILES COC(=O)CN1c2ccccc2C2(C1=O)C(=C(C)OC(=C2C#N)N)C(=O)OCc1ccccc1
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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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-15-21(23(30)33-14-16-8-4-3-5-9-16)25(18(12-26)22(27)34-15)17-10-6-7-11-19(17)28(24(25)31)13-20(29)32-2/h3-11H,13-14,27H2,1-2H3InChIKey
SFXILWCRFIOPGH-UHFFFAOYSA-NSynonyms
(R)benzyl2amino3cyano1(2methoxy2oxoethyl)6methyl2oxospiro(indoline34pyran)5carboxylate
benzyl6amino5cyano1(2methoxy2oxoethyl)2methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
BENZYL6AMINO5CYANO1(2METHOXY2OXOETHYL)2METHYL2OXOSPIRO(INDOLE34PYRAN)3CARBOXYLATE
CC1=C(C2(C3=CC=CC=C3N(C2=O)CC(=O)OC)C(=C(O1)N)C#N)C(=O)OCC4=CC=CC=C4
COC(=O)CN1c2ccccc2(C@)2(C1=O)C(=C(C)OC(=C2C#N)N)C(=O)OCc1ccccc1
InChI=1SC25H21N3O6c11521(23(30)3314168435916)25(18(1226)22(27)3415)1710671119(17)28(24(25)31)1320(29)322h311H131427H212H3
MFCD05031037
ZINC000002371828
ZINC000002482382
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