Vitas-M small molecule compound

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

Catalog ID
STK289659
SMILES C=CCn1c(SCC(=O)NC(c2ccccc2)C(=O)OC)nc(=O)cc1N

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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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-3-9-22-13(19)10-14(23)21-18(22)27-11-15(24)20-16(17(25)26-2)12-7-5-4-6-8-12/h3-8,10,16H,1,9,11,19H2,2H3,(H,20,24)
InChIKey
MIUXDCJBYOEENP-UHFFFAOYSA-N
Synonyms

COC(=O)C(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N
InChI=1SC18H20N4O4Sc1392213(19)1014(23)2118(22)271115(24)2016(17(25)262)127546812h381016H191119H22H3(H2024)
methyl((((6amino4oxo1(prop2en1yl)14dihydropyrimidin2yl)sulfanyl)acetyl)amino)(phenyl)acetate
METHYL2((2(6AMINO4OXO1PROP2ENYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)2PHENYLACETATE
MFCD06617641
ZINC000004745050
ZINC000004745052

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Available files

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