Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-(2-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561684
SMILES OCCNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)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 C30H34ClNO11 MW 620.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO11/c1-14-9-17(34)23(28(36)30(14)29(37)24-18(38-2)13-19(39-3)25(31)27(24)43-30)16(12-22(35)32-7-8-33)15-10-20(40-4)26(42-6)21(11-15)41-5/h10-11,13-14,16,33,36H,7-9,12H2,1-6H3,(H,32,35)/t14-,16?,30+/m1/s1InChIKey
AIPFWHMXGOSDCC-NOTWYEQSSA-NSynonyms
145705041
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2hydroxyethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2hydroxyethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2hydroxyethyl)3(345trimethoxyphenyl)propanamide
InChI=1SC30H34ClNO11c114917(34)23(28(36)30(14)29(37)2418(382)1319(393)25(31)27(24)4330)16(1222(35)327833)151020(404)26(426)21(1115)415h10111314163336H7912H216H3(H3235)t1416?30+m1s1
MFCD32650749
OCCNC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)OC
ZINC001848442548
ZINC001848442549
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.