Vitas-M small molecule compound
4-{[5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK037629
SMILES COC(=O)c1c(NC(=O)CCC(=O)O)sc(c1C)Cc1ccccc1
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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 C18H19NO5S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO5S/c1-11-13(10-12-6-4-3-5-7-12)25-17(16(11)18(23)24-2)19-14(20)8-9-15(21)22/h3-7H,8-10H2,1-2H3,(H,19,20)(H,21,22)InChIKey
SUPDIEWBNGLDPV-UHFFFAOYSA-NSynonyms
4((5BENZYL3(METHOXYCARBONYL)4METHYLTHIOPHEN2YL)AMINO)4OXOBUTANOICACID
4((5BENZYL3METHOXYCARBONYL4METHYLTHIOPHEN2YL)AMINO)4OXOBUTANOICACID
CC1=C(SC(=C1C(=O)OC)NC(=O)CCC(=O)O)CC2=CC=CC=C2
COC(=O)c1c(NC(=O)CCC(=O)O)sc(c1C)Cc1ccccc1
InChI=1SC18H19NO5Sc11113(10126435712)2517(16(11)18(23)242)1914(20)8915(21)22h37H810H212H3(H1920)(H2122)
MFCD01120071
STK037629
ZINC000000728587
ZINC728587
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