Vitas-M small molecule compound

2-{[(E)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}-4-(methylsulfinyl)butanoic acid

Catalog ID
STL151140
SMILES CS(=O)CCC(C(=O)O)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S

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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 C19H23N3O5S2 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5S2/c1-11(2)12-4-6-13(7-5-12)22-17(24)14(16(23)21-19(22)28)10-20-15(18(25)26)8-9-29(3)27/h4-7,10-11,15,20H,8-9H2,1-3H3,(H,25,26)(H,21,23,28)/b14-10+
InChIKey
TXDABDCBXDIXON-GXDHUFHOSA-N
Synonyms

2(((E)(46dioxo1(4(propan2yl)phenyl)2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)4(methylsulfinyl)butanoicacid
2(((E)(46DIOXO1(4PROPAN2YLPHENYL)2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)4METHYLSULFINYLBUTANOICACID
2((1(4ISOPROPYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN(5E)YLIDENEMETHYL)AMINO)4METHANESULFINYLBUTYRICACID
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CNC(CCS(=O)C)C(=O)O)C(=O)NC2=S
CS(=O)CCC(C(=O)O)NC=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S
InChI=1SC19H23N3O5S2c111(2)124613(7512)2217(24)14(16(23)2119(22)28)102015(18(25)26)8929(3)27h4710111520H89H213H3(H2526)(H212328)b1410+
MFCD04074560
ZINC000020392625
ZINC000020392634

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Available files

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