Vitas-M small molecule compound
3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Catalog ID
STL515288
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OC(=O)C1CCC(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 C29H39NO8 MW 529.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO8/c1-7-35-24(31)15-13-22-17(2)21-12-14-23(18(3)25(21)37-27(22)33)36-26(32)20-10-8-19(9-11-20)16-30-28(34)38-29(4,5)6/h12,14,19-20H,7-11,13,15-16H2,1-6H3,(H,30,34)InChIKey
FIRLYKXJXATLRV-UHFFFAOYSA-NSynonyms
1212171-27-1(1r4r)3(3ethoxy3oxopropyl)48dimethyl2oxo2Hchromen7yl4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
(3(3ETHOXY3OXOPROPYL)48DIMETHYL2OXOCHROMEN7YL)4(((2METHYLPROPAN2YL)OXYCARBONYLAMINO)METHYL)CYCLOHEXANE1CARBOXYLATE
1212171271
3(3ethoxy3oxopropyl)48dimethyl2oxo2Hchromen7yl4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
3841374
CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OC(=O)(C@@H)1CC(C@H)(CC1)CNC(=O)OC(C)(C)C
InChI=1SC29H39NO8c173524(31)15132217(2)21121423(18(3)25(21)3727(22)33)3626(32)2010819(91120)163028(34)3829(45)6h12141920H711131516H216H3(H3034)
MFCD31752097
ZINC000008952728
ZINC8952728
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