Vitas-M small molecule compound

S-benzyl-N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-cysteine

Catalog ID
STL529136
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)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 C27H27NO6S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6S/c1-14-17(4)33-24-16(3)25-20(10-19(14)24)15(2)21(27(32)34-25)11-23(29)28-22(26(30)31)13-35-12-18-8-6-5-7-9-18/h5-10,22H,11-13H2,1-4H3,(H,28,29)(H,30,31)/t22-/m0/s1
InChIKey
MNXHZTOHIHAFKG-QFIPXVFZSA-N
Synonyms
956048-03-6
(2~(R))3benzylsulfanyl2((2(2359tetramethyl7oxofuro(32g)chromen6yl)acetyl)amino)propanoicacid
(R)3(benzylthio)2(2(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanoicacid
1761257
956048036
InChI=1SC27H27NO6Sc11417(4)332416(3)2520(1019(14)24)15(2)21(27(32)3425)1123(29)2822(26(30)31)133512188657918h51022H1113H214H3(H2829)(H3031)t22m0s1
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)N(C@H)(C(=O)O)CSCc1ccccc1
SbenzylN((2359tetramethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Lcysteine
ZINC000002106256
ZINC2106256

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Available files

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