Vitas-M small molecule compound

3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate

Catalog ID
STK576648
SMILES O=C(OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)Oc1cc2c(cc1C)oc(=O)c1c2CCCC1

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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 C27H35NO6 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO6/c1-16-13-23-21(19-7-5-6-8-20(19)25(30)33-23)14-22(16)32-24(29)18-11-9-17(10-12-18)15-28-26(31)34-27(2,3)4/h13-14,17-18H,5-12,15H2,1-4H3,(H,28,31)/t17-,18-
InChIKey
RINSIIGSFWCSTA-IYARVYRRSA-N
Synonyms

(1r4r)3methyl6oxo78910tetrahydro6Hbenzo(c)chromen2yl4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
3methyl6oxo78910tetrahydro6Hbenzo(c)chromen2yltrans4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
MFCD05698286
O=C(OC(C)(C)C)NC(C@@H)1CC(C@H)(CC1)C(=O)Oc1cc2c(cc1C)oc(=O)c1c2CCCC1
ZINC000245327800

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Available files

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