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-[4-(octyloxy)phenyl]propanoate
Catalog ID
STL549854
SMILES CCCCCCCCOc1ccc(cc1)C(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)CC(=O)OC
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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 C34H41ClO9 MW 629.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41ClO9/c1-6-7-8-9-10-11-16-43-22-14-12-21(13-15-22)23(18-27(37)42-5)28-24(36)17-20(2)34(32(28)38)33(39)29-25(40-3)19-26(41-4)30(35)31(29)44-34/h12-15,19-20,23,36H,6-11,16-18H2,1-5H3InChIKey
KKPBQVCZGOEBOA-UHFFFAOYSA-NSynonyms
InChI=1SC34H41ClO9c167891011164322141221(131522)23(1827(37)425)2824(36)1720(2)34(32(28)38)33(39)2925(403)1926(414)30(35)31(29)4434h121519202336H6111618H215H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(4(octyloxy)phenyl)propanoate
MFCD31757248
ZINC000888088654
ZINC000888088657
Check stock
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