Vitas-M small molecule compound
5-({[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl](phenyl)amino}methyl)furan-2-carboxylic acid
Catalog ID
STL552412
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N(c1ccccc1)Cc1ccc(o1)C(=O)O)Cl
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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 C28H24ClNO8 MW 537.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClNO8/c1-15-11-17(30(16-7-5-4-6-8-16)14-18-9-10-19(37-18)27(33)34)12-22(31)28(15)26(32)23-20(35-2)13-21(36-3)24(29)25(23)38-28/h4-10,12-13,15H,11,14H2,1-3H3,(H,33,34)/t15-,28+/m1/s1InChIKey
QJJTWFUNBMSOOK-JMGYQRAPSA-NSynonyms
135640652
5((((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)(phenyl)amino)methyl)furan2carboxylicacid
5((((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)(phenyl)amino)methyl)furan2carboxylicacid
5((~(N)((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)anilino)methyl)furan2carboxylicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N(c1ccccc1)Cc1ccc(o1)C(=O)O)Cl
InChI=1SC28H24ClNO8c1151117(30(167546816)141891019(3718)27(33)34)1222(31)28(15)26(32)2320(352)1321(363)24(29)25(23)3828h410121315H1114H213H3(H3334)t1528+m1s1
ZINC001547139252
Check stock
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