Vitas-M small molecule compound
2-methoxyethyl 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
STL015999
SMILES COCCOC(=O)C1=C(C)OC(=C(C21c1ccccc1N(C2=O)CC#C)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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c1-4-9-24-16-8-6-5-7-14(16)21(20(24)26)15(12-22)18(23)29-13(2)17(21)19(25)28-11-10-27-3/h1,5-8H,9-11,23H2,2-3H3InChIKey
PWVASIYQVGHARU-UHFFFAOYSA-NSynonyms
(R)2methoxyethyl2amino3cyano6methyl2oxo1(prop2yn1yl)spiro(indoline34pyran)5carboxylate
2methoxyethyl6amino5cyano2methyl2oxo1(prop2yn1yl)12dihydrospiro(indole34pyran)3carboxylate
2METHOXYETHYL6AMINO5CYANO2METHYL2OXO1PROP2YNYLSPIRO(INDOLE34PYRAN)3CARBOXYLATE
CC1=C(C2(C3=CC=CC=C3N(C2=O)CC#C)C(=C(O1)N)C#N)C(=O)OCCOC
COCCOC(=O)C1=C(C)OC(=C((C@@)21c1ccccc1N(C2=O)CC#C)C#N)N
InChI=1SC21H19N3O5c1492416865714(16)21(20(24)26)15(1222)18(23)2913(2)17(21)19(25)281110273h158H91123H223H3
MFCD14710662
ZINC000002236320
ZINC000002497125
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