Vitas-M small molecule compound

methyl ({2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoyl}amino)(phenyl)acetate

Catalog ID
STK209069
SMILES CCC(C(=O)NC(c1ccccc1)C(=O)OC)Sc1nc(C)cc(=O)[nH]1

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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 C18H21N3O4S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S/c1-4-13(26-18-19-11(2)10-14(22)20-18)16(23)21-15(17(24)25-3)12-8-6-5-7-9-12/h5-10,13,15H,4H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKey
GWITZDMQDKUXJS-UHFFFAOYSA-N
Synonyms

CCC(C(=O)NC(C1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2)C
CCC(C(=O)NC(c1ccccc1)C(=O)OC)Sc1nc(C)cc(=O)(nH)1
InChI=1SC18H21N3O4Sc1413(26181911(2)1014(22)2018)16(23)2115(17(24)253)128657912h5101315H4H213H3(H2123)(H192022)
METHYL((2((4METHYL6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)BUTANOYL)AMINO)(PHENYL)ACETATE
METHYL2(2((6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)BUTANOYLAMINO)2PHENYLACETATE
MFCD08673352
ZINC000004741524
ZINC000004741527

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Available files

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