Vitas-M small molecule compound

2-[(8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]propanoic acid

Catalog ID
STL445560
SMILES CCCCCCc1cc2c(cc1OC(C(=O)O)C)oc(=O)c1c2CCC1

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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 C21H26O5 MW 358.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O5/c1-3-4-5-6-8-14-11-17-15-9-7-10-16(15)21(24)26-19(17)12-18(14)25-13(2)20(22)23/h11-13H,3-10H2,1-2H3,(H,22,23)
InChIKey
CBQDOUMZGJALAW-UHFFFAOYSA-N
Synonyms
301196-66-7
2((8hexyl4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)propanoicacid
2((8HEXYL4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN7YL)OXY)PROPANOICACID
301196667
CCCCCCC1=C(C=C2C(=C1)C3=C(CCC3)C(=O)O2)OC(C)C(=O)O
InChI=1SC21H26O5c13456814111715971016(15)21(24)2619(17)1218(14)2513(2)20(22)23h1113H310H212H3(H2223)
MFCD01549297
ZINC000002139424
ZINC000003902496

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Available files

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