Vitas-M small molecule compound
prop-2-en-1-yl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373687
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2
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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 C21H20ClNO5 MW 401.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO5/c1-3-7-26-21(25)18-11(2)23-14-5-4-6-15(24)20(14)19(18)12-8-16-17(9-13(12)22)28-10-27-16/h3,8-9,19,23H,1,4-7,10H2,2H3InChIKey
MYGJTHTZZLMFRU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCC=C
InChI=1SC21H20ClNO5c1372621(25)1811(2)231454615(24)20(14)19(18)1281617(913(12)22)28102716h3891923H14710H22H3
MFCD00816338
prop2en1yl4(6chloro13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(6chloro13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002058519
ZINC000002058520
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