Vitas-M small molecule compound
methyl 2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK878432
SMILES COC(=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 C16H17N3O4S2 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S2/c1-7-3-4-8-10(5-7)25-14(11(8)15(22)23-2)17-6-9-12(20)18-16(24)19-13(9)21/h6-7,17H,3-5H2,1-2H3,(H2,18,19,20,21,24)InChIKey
OKPLNPFHHUGDCQ-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC=C3C(=O)NC(=S)NC3=O
InChI=1SC16H17N3O4S2c1734810(57)2514(11(8)15(22)232)176912(20)1816(24)1913(9)21h6717H35H212H3(H21819202124)
methyl2(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD18170301
ZINC000040476925
ZINC000040476926
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