Vitas-M small molecule compound
2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-4-bromophenyl morpholine-4-carboxylate
Catalog ID
STK766008
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OC(=O)N1CCOCC1)c(=O)oc(c2)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 C21H18BrN3O6 MW 488.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O6/c1-11-8-16-18(20(26)29-11)17(14(10-23)19(24)30-16)13-9-12(22)2-3-15(13)31-21(27)25-4-6-28-7-5-25/h2-3,8-9,17H,4-7,24H2,1H3InChIKey
PQPYAWDRLSHTDB-UHFFFAOYSA-NSynonyms
(2(2AMINO3CYANO7METHYL5OXO4HPYRANO(32C)PYRAN4YL)4BROMOPHENYL)MORPHOLINE4CARBOXYLATE
2(2AMINO3CYANO7METHYL5OXO(4HPYRANO(32C)PYRAN4YL))4BROMOPHENYLMORPHOLINE4CARBOXYLATE
2(2amino3cyano7methyl5oxo4H5Hpyrano(43b)pyran4yl)4bromophenylmorpholine4carboxylate
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OC(=O)N4CCOCC4)C(=O)O1
InChI=1SC21H18BrN3O6c11181618(20(26)2911)17(14(1023)19(24)3016)13912(22)2315(13)3121(27)2546287525h238917H4724H21H3
MFCD03035861
ZINC000000717423
ZINC000000717424
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