Vitas-M small molecule compound
benzyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STK863693
SMILES C#CCN1c2ccccc2C2(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 C25H19N3O4 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O4/c1-3-13-28-20-12-8-7-11-18(20)25(24(28)30)19(14-26)22(27)32-16(2)21(25)23(29)31-15-17-9-5-4-6-10-17/h1,4-12H,13,15,27H2,2H3InChIKey
LKTWHQLGBLDGCK-UHFFFAOYSA-NSynonyms
(R)benzyl2amino3cyano6methyl2oxo1(prop2yn1yl)spiro(indoline34pyran)5carboxylate
benzyl6amino5cyano2methyl2oxo1(prop2yn1yl)12dihydrospiro(indole34pyran)3carboxylate
BENZYL6AMINO5CYANO2METHYL2OXO1PROP2YNYL12DIHYDROSPIRO(INDOLE34PYRAN)3CARBOXYLATE
BENZYL6AMINO5CYANO2METHYL2OXO1PROP2YNYLSPIRO(INDOLE34PYRAN)3CARBOXYLATE
C#CCN1c2ccccc2(C@)2(C1=O)C(=C(C)OC(=C2C#N)N)C(=O)OCc1ccccc1
CC1=C(C2(C3=CC=CC=C3N(C2=O)CC#C)C(=C(O1)N)C#N)C(=O)OCC4=CC=CC=C4
InChI=1SC25H19N3O4c1313282012871118(20)25(24(28)30)19(1426)22(27)3216(2)21(25)23(29)31151795461017h1412H131527H22H3
MFCD14710663
ZINC000002211847
ZINC000002497127
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