Vitas-M small molecule compound
ethyl 2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK878443
SMILES CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CCC(C2)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 C17H19N3O4S2 MW 393.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O4S2/c1-3-24-16(23)12-9-5-4-8(2)6-11(9)26-15(12)18-7-10-13(21)19-17(25)20-14(10)22/h7-8,18H,3-6H2,1-2H3,(H2,19,20,21,22,25)InChIKey
DQJSZKZLTBBPEK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC=C3C(=O)NC(=S)NC3=O
ethyl2(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC17H19N3O4S2c132416(23)129548(2)611(9)2615(12)1871013(21)1917(25)2014(10)22h7818H36H212H3(H21920212225)
MFCD11992836
ZINC000017297560
ZINC000017297562
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