Vitas-M small molecule compound

N-{[1-(4-{[3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoyl)piperidin-4-yl]carbonyl}-beta-alanine

Catalog ID
STK585877
SMILES O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NCCCC(=O)N1CCC(CC1)C(=O)NCCC(=O)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 C29H35N3O8 MW 553.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O8/c1-17-16-39-23-15-24-22(14-21(17)23)18(2)20(29(38)40-24)5-6-25(33)30-10-3-4-26(34)32-12-8-19(9-13-32)28(37)31-11-7-27(35)36/h14-16,19H,3-13H2,1-2H3,(H,30,33)(H,31,37)(H,35,36)
InChIKey
AUSDQNBZJDXJOP-UHFFFAOYSA-N
Synonyms
879769-77-4
3((1(4(3(35dimethyl7oxofuro(32g)chromen6yl)propanoylamino)butanoyl)piperidine4carbonyl)amino)propanoicacid
3(1(4(3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)butanoyl)piperidine4carboxamido)propanoicacid
879769774
CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCCC(=O)N4CCC(CC4)C(=O)NCCC(=O)O)C
InChI=1SC29H35N3O8c117163923152422(1421(17)23)18(2)20(29(38)4024)5625(33)30103426(34)3212819(91332)28(37)3111727(35)36h141619H313H212H3(H3033)(H3137)(H3536)
MFCD07208381
N((1(4((3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)amino)butanoyl)piperidin4yl)carbonyl)betaalanine
ZINC000097956978
ZINC97956978

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Available files

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