Vitas-M small molecule compound
S-benzyl-N-{[3-(4-fluorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-cysteine
Catalog ID
STL530218
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)F)N[C@H](C(=O)O)CSCc1ccccc1
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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 C31H26FNO6S MW 559.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26FNO6S/c1-17-22-12-24-25(20-8-10-21(32)11-9-20)14-38-28(24)18(2)29(22)39-31(37)23(17)13-27(34)33-26(30(35)36)16-40-15-19-6-4-3-5-7-19/h3-12,14,26H,13,15-16H2,1-2H3,(H,33,34)(H,35,36)/t26-/m0/s1InChIKey
XVCCCGLFCYIGHL-SANMLTNESA-NSynonyms
956044-16-9(2~(R))3benzylsulfanyl2((2(3(4fluorophenyl)59dimethyl7oxofuro(32g)chromen6yl)acetyl)amino)propanoicacid
(2R)3BENZYLSULFANYL2((2(3(4FLUOROPHENYL)59DIMETHYL7OXOFURO(32G)CHROMEN6YL)ACETYL)AMINO)PROPANOICACID
(R)3(benzylthio)2(2(3(4fluorophenyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanoicacid
1774941
956044169
InChI=1SC31H26FNO6Sc11722122425(2081021(32)11920)143828(24)18(2)29(22)3931(37)23(17)1327(34)3326(30(35)36)164015196435719h3121426H131516H212H3(H3334)(H3536)t26m0s1
MFCD05674728
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)F)N(C@H)(C(=O)O)CSCc1ccccc1
SbenzylN((3(4fluorophenyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Lcysteine
ZINC000002120061
ZINC2120061
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.