Vitas-M small molecule compound

(2R,3'E,6'R)-7-chloro-3'-(1-{[2-(4-hydroxyphenyl)ethyl]amino}ethylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione

Catalog ID
STL562017
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\NCCc2ccc(cc2)O)/C)/C1=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 C26H26ClNO7 MW 499.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO7/c1-13-11-17(30)20(14(2)28-10-9-15-5-7-16(29)8-6-15)24(31)26(13)25(32)21-18(33-3)12-19(34-4)22(27)23(21)35-26/h5-8,12-13,28-29H,9-11H2,1-4H3/b20-14+/t13-,26+/m1/s1
InChIKey
BUTQMBZFBSZETF-FQJTUIINSA-N
Synonyms

(1R6RE)7chloro3(1((4hydroxyphenethyl)amino)ethylidene)46dimethoxy6methyl3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)7chloro3(1((2(4hydroxyphenyl)ethyl)amino)ethylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C(NCCc2ccc(cc2)O)C)C1=O)Cl
MFCD32651071
ZINC001848443269

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Available files

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