Vitas-M small molecule compound
3,3',3''-(8a-hydroxy-2-oxohexahydro-2H-chromene-4a,8,8(5H)-triyl)tripropanoic acid
Catalog ID
STL525139
SMILES OC(=O)CCC1(CCCC2(C1(O)OC(=O)CC2)CCC(=O)O)CCC(=O)O
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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 C18H26O9 MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26O9/c19-12(20)2-8-16(9-3-13(21)22)6-1-7-17(10-4-14(23)24)11-5-15(25)27-18(16,17)26/h26H,1-11H2,(H,19,20)(H,21,22)(H,23,24)InChIKey
JTSWOZAXJNDQKV-UHFFFAOYSA-NSynonyms
364062-49-73(88bis(2carboxyethyl)8~(a)hydroxy2oxo4567tetrahydro3~(H)chromen4~(a)yl)propanoicacid
333(8ahydroxy2oxohexahydro2Hchromene4a88(5H)triyl)tripropanoicacid
333(8ahydroxy2oxooctahydro2Hchromene4a88triyl)tripropanoicacid
364062497
3841432
InChI=1SC18H26O9c1912(20)2816(9313(21)22)61717(10414(23)24)11515(25)2718(1617)26h26H111H2(H1920)(H2122)(H2324)
MFCD01544569
ZINC000004024209
ZINC000012654044
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