Vitas-M small molecule compound

ethyl 5-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-methyl-4-pentanoylthiophene-2-carboxylate

Catalog ID
STK878449
SMILES CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(c1C)C(=O)OCC

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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 C18H21N3O5S2 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5S2/c1-4-6-7-11(22)12-9(3)13(17(25)26-5-2)28-16(12)19-8-10-14(23)20-18(27)21-15(10)24/h8,19H,4-7H2,1-3H3,(H2,20,21,23,24,27)
InChIKey
QGCLLCOULGEJMA-UHFFFAOYSA-N
Synonyms

CCCCC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=O)NC(=S)NC2=O
ethyl5(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methyl4pentanoylthiophene2carboxylate
ethyl5((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)3methyl4pentanoylthiophene2carboxylate
InChI=1SC18H21N3O5S2c146711(22)129(3)13(17(25)2652)2816(12)1981014(23)2018(27)2115(10)24h819H47H213H3(H22021232427)
MFCD18170308
ZINC000040476940
ZINC40476940

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Available files

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