Vitas-M small molecule compound

methyl 4-(11-chloro-6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl)benzoate

Catalog ID
STK608802
SMILES COC(=O)c1ccc(cc1)N1COc2c(C1)c1oc(=O)c3c(c1cc2Cl)CCC3

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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 C22H18ClNO5 MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClNO5/c1-27-21(25)12-5-7-13(8-6-12)24-10-17-19-16(9-18(23)20(17)28-11-24)14-3-2-4-15(14)22(26)29-19/h5-9H,2-4,10-11H2,1H3
InChIKey
GUSDROLUHQOFKK-UHFFFAOYSA-N
Synonyms
862194-05-6
862194056
COC(=O)C1=CC=C(C=C1)N2CC3=C4C(=CC(=C3OC2)Cl)C5=C(CCC5)C(=O)O4
InChI=1SC22H18ClNO5c12721(25)125713(8612)2410171916(918(23)20(17)281124)1432415(14)22(26)2919h59H241011H21H3
methyl4(11chloro6oxo6789tetrahydro2Hcyclopenta(34)chromeno(87e)(13)oxazin3(4H)yl)benzoate
methyl4(11chloro6oxo89dihydro2Hcyclopenta(34)chromeno(87e)(13)oxazin3(4H6H7H)yl)benzoate
MFCD05696664
ZINC000006658435
ZINC06658435
ZINC6658435

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Available files

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