Vitas-M small molecule compound
3-{7-[(2,6-dichlorobenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid
Catalog ID
STL463261
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1c(Cl)cccc1Cl
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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 C21H18Cl2O5 MW 421.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2O5/c1-11-13-6-8-18(27-10-15-16(22)4-3-5-17(15)23)12(2)20(13)28-21(26)14(11)7-9-19(24)25/h3-6,8H,7,9-10H2,1-2H3,(H,24,25)InChIKey
VABZZWKIGAEJJB-UHFFFAOYSA-NSynonyms
858759-63-43(7((26dichlorobenzyl)oxy)48dimethyl2oxo2Hchromen3yl)propanoicacid
3(7((26DICHLOROPHENYL)METHOXY)48DIMETHYL2OXOCHROMEN3YL)PROPANOICACID
858759634
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC=C3Cl)Cl)CCC(=O)O
InChI=1SC21H18Cl2O5c111136818(27101516(22)43517(15)23)12(2)20(13)2821(26)14(11)7919(24)25h368H7910H212H3(H2425)
MFCD03854247
ZINC000002096398
ZINC2096398
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