Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-4'-{[2-methoxy-5-(2-oxo-2H-chromen-3-yl)phenyl]amino}-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550481
SMILES COc1ccc(cc1NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc2ccccc2oc1=O
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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 C32H26ClNO8 MW 588.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26ClNO8/c1-16-11-19(14-26(35)32(16)30(36)27-24(39-3)15-25(40-4)28(33)29(27)42-32)34-21-13-17(9-10-23(21)38-2)20-12-18-7-5-6-8-22(18)41-31(20)37/h5-10,12-16,34H,11H2,1-4H3/t16-,32+/m1/s1InChIKey
UBLMHGHBWKWWIM-FTDQSSOUSA-NSynonyms
(1S6R)7chloro46dimethoxy4((2methoxy5(2oxo2Hchromen3yl)phenyl)amino)6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy3(2methoxy5(2oxochromen3yl)anilino)5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy4((2methoxy5(2oxo2Hchromen3yl)phenyl)amino)6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253028
COc1ccc(cc1NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc2ccccc2oc1=O
InChI=1SC32H26ClNO8c1161119(1426(35)32(16)30(36)2724(393)1525(404)28(33)29(27)4232)34211317(91023(21)382)201218756822(18)4131(20)37h510121634H11H214H3t1632+m1s1
ZINC000604405925
ZINC604405925
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