Vitas-M small molecule compound

6-chloro-2-oxo-4-propyl-2H-chromen-7-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate

Catalog ID
STL461762
SMILES CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)OC(C)(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 C25H32ClNO6 MW 477.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32ClNO6/c1-5-6-17-11-22(28)31-20-13-21(19(26)12-18(17)20)32-23(29)16-9-7-15(8-10-16)14-27-24(30)33-25(2,3)4/h11-13,15-16H,5-10,14H2,1-4H3,(H,27,30)/t15-,16-
InChIKey
IIXRMFGCDCVVOZ-WKILWMFISA-N
Synonyms

(1r4r)6chloro2oxo4propyl2Hchromen7yl4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
6chloro2oxo4propyl2Hchromen7yltrans4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)(C@@H)1CC(C@H)(CC1)CNC(=O)OC(C)(C)C
MFCD05674112
ZINC000238900270

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.