Vitas-M small molecule compound
methyl 2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK878431
SMILES COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CCCC2
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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 C15H15N3O4S2 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O4S2/c1-22-14(21)10-7-4-2-3-5-9(7)24-13(10)16-6-8-11(19)17-15(23)18-12(8)20/h6,16H,2-5H2,1H3,(H2,17,18,19,20,23)InChIKey
MFXQRMFGIYJWHN-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)NC(=S)NC3=O
InChI=1SC15H15N3O4S2c12214(21)10742359(7)2413(10)166811(19)1715(23)1812(8)20h616H25H21H3(H21718192023)
methyl2(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD11992830
ZINC000016917286
ZINC16917286
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