Vitas-M small molecule compound
3-{4,8-dimethyl-2-oxo-7-[(pentamethylbenzyl)oxy]-2H-chromen-3-yl}propanoic acid
Catalog ID
STL463272
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1c(C)c(C)c(c(c1C)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 C26H30O5 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30O5/c1-13-14(2)16(4)22(17(5)15(13)3)12-30-23-10-8-20-18(6)21(9-11-24(27)28)26(29)31-25(20)19(23)7/h8,10H,9,11-12H2,1-7H3,(H,27,28)InChIKey
OMWUHLMVIOJIFN-UHFFFAOYSA-NSynonyms
858748-63-73(48dimethyl2oxo7((23456pentamethylbenzyl)oxy)2Hchromen3yl)propanoicacid
3(48dimethyl2oxo7((23456pentamethylphenyl)methoxy)chromen3yl)propanoicacid
3(48dimethyl2oxo7((pentamethylbenzyl)oxy)2Hchromen3yl)propanoicacid
858748637
CC1=C(C(=C(C(=C1C)C)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CCC(=O)O)C)C)C)C
InChI=1SC26H30O5c11314(2)16(4)22(17(5)15(13)3)1230231082018(6)21(91124(27)28)26(29)3125(20)19(23)7h810H91112H217H3(H2728)
MFCD03851815
ZINC000002150252
ZINC2150252
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