Vitas-M small molecule compound

({2-[(5-tert-butyl-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)acetic acid

Catalog ID
STK467235
SMILES COc1ccc(cc1NC(=O)CSCC(=O)O)C(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 C15H21NO4S MW 311.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21NO4S/c1-15(2,3)10-5-6-12(20-4)11(7-10)16-13(17)8-21-9-14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKey
JAHZQUSXWQPCDH-UHFFFAOYSA-N
Synonyms

((2((5tertbutyl2methoxyphenyl)amino)2oxoethyl)sulfanyl)aceticacid
2((N(5(TERTBUTYL)2METHOXYPHENYL)CARBAMOYL)METHYLTHIO)ACETICACID
2(2(5tertbutyl2methoxyanilino)2oxoethyl)sulfanylaceticacid
CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CSCC(=O)O
InChI=1SC15H21NO4Sc115(23)105612(204)11(710)1613(17)821914(18)19h57H89H214H3(H1617)(H1819)
MFCD06067302
ZINC000017032311
ZINC17032311

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Available files

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