Vitas-M small molecule compound

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

Catalog ID
STL561963
SMILES OCC(N/C(=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)/C)Cc1ccccc1

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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 C27H28ClNO7 MW 513.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO7/c1-14-10-18(31)21(15(2)29-17(13-30)11-16-8-6-5-7-9-16)25(32)27(14)26(33)22-19(34-3)12-20(35-4)23(28)24(22)36-27/h5-9,12,14,17,29-30H,10-11,13H2,1-4H3/b21-15+/t14-,17-,27+/m1/s1
InChIKey
LXGVAEISEYWZIN-NBOFNMPJSA-N
Synonyms

(1R6RE)7chloro3(1(((R)1hydroxy3phenylpropan2yl)amino)ethylidene)46dimethoxy6methyl3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)7chloro3(1(((2R)1hydroxy3phenylpropan2yl)amino)ethylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
MFCD32651021
OC(C@H)(NC(=C1C(=O)C(C@H)((C@@)2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)C)Cc1ccccc1
ZINC001848443380

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Available files

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