Vitas-M small molecule compound

N-{[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-valine

Catalog ID
STL530986
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)Cl)N[C@H](C(=O)O)C(C)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 C26H24ClNO6 MW 481.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClNO6/c1-12(2)22(25(30)31)28-21(29)10-18-13(3)17-9-19-20(15-5-7-16(27)8-6-15)11-33-23(19)14(4)24(17)34-26(18)32/h5-9,11-12,22H,10H2,1-4H3,(H,28,29)(H,30,31)/t22-/m0/s1
InChIKey
HCVJTPGPAUQTBA-QFIPXVFZSA-N
Synonyms
956048-88-7
(2~(S))2((2(3(4chlorophenyl)59dimethyl7oxofuro(32g)chromen6yl)acetyl)amino)3methylbutanoicacid
(2S)2((2(3(4CHLOROPHENYL)59DIMETHYL7OXOFURO(32G)CHROMEN6YL)ACETYL)AMINO)3METHYLBUTANOICACID
(S)2(2(3(4chlorophenyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)3methylbutanoicacid
1806952
956048887
InChI=1SC26H24ClNO6c112(2)22(25(30)31)2821(29)101813(3)1791920(155716(27)8615)113323(19)14(4)24(17)3426(18)32h59111222H10H214H3(H2829)(H3031)t22m0s1
MFCD05675186
N((3(4chlorophenyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Lvaline
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)Cl)N(C@H)(C(=O)O)C(C)C
ZINC000002159333
ZINC2159333

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.