Vitas-M small molecule compound

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

Catalog ID
STL579618
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\NCc2csc(n2)c2ccccc2)/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 C28H25ClN2O6S MW 553.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O6S/c1-14-10-18(32)21(15(2)30-12-17-13-38-27(31-17)16-8-6-5-7-9-16)25(33)28(14)26(34)22-19(35-3)11-20(36-4)23(29)24(22)37-28/h5-9,11,13-14,30H,10,12H2,1-4H3/b21-15+/t14-,28+/m1/s1
InChIKey
KCQIDEFIOQMQGR-UXLHREAPSA-N
Synonyms

(1R6RE)7chloro46dimethoxy6methyl3(1(((2phenylthiazol4yl)methyl)amino)ethylidene)3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)7chloro46dimethoxy6methyl3(1(((2phenyl13thiazol4yl)methyl)amino)ethylidene)2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C(NCc2csc(n2)c2ccccc2)C)C1=O)Cl
InChI=1SC28H25ClN2O6Sc1141018(32)21(15(2)301217133827(3117)168657916)25(33)28(14)26(34)2219(353)1120(364)23(29)24(22)3728h5911131430H1012H214H3b2115+t1428+m1s1
MFCD33397946

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Available files

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