Vitas-M small molecule compound
butyl 5'-acetyl-2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STL015979
SMILES CCCCOC(=O)C1=C(N)OC(=C(C21C(=O)Nc1c2cc(Br)cc1)C(=O)C)C
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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 C20H21BrN2O5 MW 449.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O5/c1-4-5-8-27-18(25)16-17(22)28-11(3)15(10(2)24)20(16)13-9-12(21)6-7-14(13)23-19(20)26/h6-7,9H,4-5,8,22H2,1-3H3,(H,23,26)InChIKey
BAXMQULYVVHJTI-UHFFFAOYSA-NSynonyms
(S)butyl3acetyl6amino5bromo2methyl2oxospiro(indoline34pyran)5carboxylate
butyl5acetyl2amino5bromo6methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
BUTYL5ACETYL2AMINO5BROMO6METHYL2OXOSPIRO(1HINDOLE34PYRAN)3CARBOXYLATE
CCCCOC(=O)C1=C(N)OC(=C((C@@)21C(=O)Nc1c2cc(Br)cc1)C(=O)C)C
CCCCOC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)Br)NC2=O)C(=O)C)C)N
InChI=1SC20H21BrN2O5c14582718(25)1617(22)2811(3)15(10(2)24)20(16)13912(21)6714(13)2319(20)26h679H45822H213H3(H2326)
MFCD18186904
ZINC000002216670
ZINC000009695182
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