Vitas-M small molecule compound
ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STL062198
SMILES CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C21C(=O)Nc1c2cc(Br)cc1)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 C20H18BrN3O6 MW 476.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O6/c1-3-28-15(25)8-14-16(18(26)29-4-2)20(12(9-22)17(23)30-14)11-7-10(21)5-6-13(11)24-19(20)27/h5-7H,3-4,8,23H2,1-2H3,(H,24,27)InChIKey
VWYPLYHHVCSHCF-UHFFFAOYSA-NSynonyms
497229-63-7497229637
CCOC(=O)CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C#N)C(=O)OCC
ethyl2amino5bromo3cyano6(2ethoxy2oxoethyl)2oxospiro(indoline34pyran)5carboxylate
ethyl6amino5bromo5cyano2(2ethoxy2oxoethyl)2oxo12dihydrospiro(indole34pyran)3carboxylate
ETHYL6AMINO5BROMO5CYANO2(2ETHOXY2OXOETHYL)2OXOSPIRO(1HINDOLE34PYRAN)3CARBOXYLATE
InChI=1SC20H18BrN3O6c132815(25)81416(18(26)2942)20(12(922)17(23)3014)11710(21)5613(11)2419(20)27h57H34823H212H3(H2427)
MFCD01789624
ZINC000001288714
ZINC000001288715
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