Vitas-M small molecule compound

N-[(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-S-methyl-D-cysteine

Catalog ID
STL464425
SMILES CSC[C@H](C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)c(O)cc(c2)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 C17H19NO6S MW 365.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO6S/c1-8-4-12(19)15-9(2)10(17(23)24-13(15)5-8)6-14(20)18-11(7-25-3)16(21)22/h4-5,11,19H,6-7H2,1-3H3,(H,18,20)(H,21,22)/t11-/m1/s1
InChIKey
RLXRYADEZRLRMH-LLVKDONJSA-N
Synonyms

(2S)2((2(5hydroxy47dimethyl2oxochromen3yl)acetyl)amino)3methylsulfanylpropanoicacid
(R)2(2(5hydroxy47dimethyl2oxo2Hchromen3yl)acetamido)3(methylthio)propanoicacid
CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(CSC)C(=O)O)C)C(=C1)O
CSC(C@@H)(C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)c(O)cc(c2)C
CSC(C@H)(C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)c(O)cc(c2)C
InChI=1SC17H19NO6Sc18412(19)159(2)10(17(23)2413(15)58)614(20)1811(7253)16(21)22h451119H67H213H3(H1820)(H2122)t11m1s1
N((5hydroxy47dimethyl2oxo2Hchromen3yl)acetyl)SmethylDcysteine
ZINC000011865665
ZINC11865665

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Available files

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