Vitas-M small molecule compound
4-butyl-8-methyl-2-oxo-2H-chromen-7-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Catalog ID
STL515826
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)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 C27H37NO6 MW 471.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO6/c1-6-7-8-20-15-23(29)33-24-17(2)22(14-13-21(20)24)32-25(30)19-11-9-18(10-12-19)16-28-26(31)34-27(3,4)5/h13-15,18-19H,6-12,16H2,1-5H3,(H,28,31)/t18-,19-InChIKey
GXAPLJMILMGIRC-WGSAOQKQSA-NSynonyms
(1r4r)4butyl8methyl2oxo2Hchromen7yl4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
4butyl8methyl2oxo2Hchromen7yltrans4(((tertbutoxycarbonyl)amino)methyl)cyclohexanecarboxylate
CCCCc1cc(=O)oc2c1ccc(c2C)OC(=O)(C@@H)1CC(C@H)(CC1)CNC(=O)OC(C)(C)C
InChI=1SC27H37NO6c1678201523(29)332417(2)22(141321(20)24)3225(30)1911918(101219)162826(31)3427(34)5h13151819H61216H215H3(H2831)t1819
MFCD05677171
ZINC000252693888
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