Vitas-M small molecule compound
(3R,4S)-5-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-6-[(1E)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-3,4-dihydro-2H-chromen-3-yl 3-methylbutanoate
Catalog ID
STK368480
SMILES CC(CC(=O)O[C@@H]1[C@@H](N2CCOCC2)c2c(OC1(C)C)ccc(c2O)/C=C/C(=O)N1CCOCC1)C
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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 C27H38N2O7 MW 502.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O7/c1-18(2)17-22(31)35-26-24(29-11-15-34-16-12-29)23-20(36-27(26,3)4)7-5-19(25(23)32)6-8-21(30)28-9-13-33-14-10-28/h5-8,18,24,26,32H,9-17H2,1-4H3/b8-6+/t24-,26+/m0/s1InChIKey
HABFVMRKJUPSNL-ZVJVYYHESA-NSynonyms
1391421-05-8((3R4S)5HYDROXY22DIMETHYL4MORPHOLIN4YL6((E)3MORPHOLIN4YL3OXOPROP1ENYL)34DIHYDROCHROMEN3YL)3METHYLBUTANOATE
(3R4S)5hydroxy22dimethyl4(morpholin4yl)6((1E)3(morpholin4yl)3oxoprop1en1yl)34dihydro2Hchromen3yl3methylbutanoate
1391421058
CC(C)CC(=O)OC1C(C2=C(C=CC(=C2O)C=CC(=O)N3CCOCC3)OC1(C)C)N4CCOCC4
CC(CC(=O)O(C@@H)1(C@@H)(N2CCOCC2)c2c(OC1(C)C)ccc(c2O)C=CC(=O)N1CCOCC1)C
InChI=1SC27H38N2O7c118(2)1722(31)352624(29111534161229)2320(3627(263)4)7519(25(23)32)6821(30)2891333141028h5818242632H917H214H3b86+t2426+m0s1
MFCD11844714
ZINC000019229456
ZINC19229456
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