Vitas-M small molecule compound
N-{[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-methionyl-beta-alanine
Catalog ID
STK589431
SMILES CSCC[C@@H](C(=O)NCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F
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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 C28H27FN2O7S MW 554.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN2O7S/c1-15-18-11-20-21(16-3-5-17(29)6-4-16)14-37-23(20)13-24(18)38-28(36)19(15)12-25(32)31-22(8-10-39-2)27(35)30-9-7-26(33)34/h3-6,11,13-14,22H,7-10,12H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)/t22-/m0/s1InChIKey
MADNRJOLNOBLBF-QFIPXVFZSA-NSynonyms
1014063-64-9(S)3(2(2(3(4fluorophenyl)5methyl7oxo7Hfuro(32g)chromen6yl)acetamido)4(methylthio)butanamido)propanoicacid
1014063649
3(((2S)2((2(3(4fluorophenyl)5methyl7oxofuro(32g)chromen6yl)acetyl)amino)4methylsulfanylbutanoyl)amino)propanoicacid
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)F)CC(=O)NC(CCSC)C(=O)NCCC(=O)O
CSCC(C@@H)(C(=O)NCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F
InChI=1SC28H27FN2O7Sc11518112021(163517(29)6416)143723(20)1324(18)3828(36)19(15)1225(32)3122(810392)27(35)309726(33)34h3611131422H71012H212H3(H3035)(H3132)(H3334)t22m0s1
MFCD08284506
N((3(4fluorophenyl)5methyl7oxo7Hfuro(32g)chromen6yl)acetyl)Lmethionylbetaalanine
ZINC000097957082
ZINC97957082
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.