Vitas-M small molecule compound

2-tert-butyl 4-ethyl 5-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK878439
SMILES CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(c1C)C(=O)OC(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 C18H21N3O6S2 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O6S2/c1-6-26-15(24)10-8(2)11(16(25)27-18(3,4)5)29-14(10)19-7-9-12(22)20-17(28)21-13(9)23/h7,19H,6H2,1-5H3,(H2,20,21,22,23,28)
InChIKey
AZLXQGPRJFXULI-UHFFFAOYSA-N
Synonyms

2Otertbutyl4Oethyl5((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)3methylthiophene24dicarboxylate
2tertbutyl4ethyl5(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methylthiophene24dicarboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC=C2C(=O)NC(=S)NC2=O
InChI=1SC18H21N3O6S2c162615(24)108(2)11(16(25)2718(34)5)2914(10)197912(22)2017(28)2113(9)23h719H6H215H3(H22021222328)
MFCD11992832
ZINC000017297261
ZINC17297261

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Available files

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