Vitas-M small molecule compound

trans-4-({[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid

Catalog ID
STL553369
SMILES O=C(NCC1CC[C@H](CC1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-13-15(3)31-21-11-22-20(10-19(13)21)14(2)18(25(30)32-22)8-9-23(27)26-12-16-4-6-17(7-5-16)24(28)29/h10-11,16-17H,4-9,12H2,1-3H3,(H,26,27)(H,28,29)/t16?,17-
InChIKey
GCMVHJRECYVDHQ-FITNRVMRSA-N
Synonyms

(1s4s)4((3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)methyl)cyclohexanecarboxylicacid
InChI=1SC25H29NO6c11315(3)3121112220(1019(13)21)14(2)18(25(30)3222)8923(27)2612164617(7516)24(28)29h10111617H4912H213H3(H2627)(H2829)t16?17
O=C(NCC1CC(C@H)(CC1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
trans4(((3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000002154949

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Available files

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