Vitas-M small molecule compound
methyl 3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)-3-phenylpropanoate
Catalog ID
STL551492
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccccc1
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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 C26H25ClO8 MW 500.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClO8/c1-13-10-16(28)20(15(11-19(29)34-4)14-8-6-5-7-9-14)24(30)26(13)25(31)21-17(32-2)12-18(33-3)22(27)23(21)35-26/h5-9,12-13,15,28H,10-11H2,1-4H3InChIKey
NFMZZDROOYOTAK-UHFFFAOYSA-NSynonyms
InChI=1SC26H25ClO8c1131016(28)20(15(1119(29)344)148657914)24(30)26(13)25(31)2117(322)1218(333)22(27)23(21)3526h5912131528H1011H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3phenylpropanoate
MFCD31758169
ZINC000888089884
ZINC000888089887
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