Vitas-M small molecule compound
2-chloro-5-{[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid
Catalog ID
STL372528
SMILES CCN1C(=O)C(=CNc2ccc(c(c2)C(=O)O)Cl)C(=O)N(C1=S)CC
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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 C16H16ClN3O4S MW 381.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN3O4S/c1-3-19-13(21)11(14(22)20(4-2)16(19)25)8-18-9-5-6-12(17)10(7-9)15(23)24/h5-8,18H,3-4H2,1-2H3,(H,23,24)InChIKey
IZQTXGFQNPMRQX-UHFFFAOYSA-NSynonyms
2chloro5(((13diethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoicacid
2CHLORO5((13DIETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYLAMINO)BENZOICACID
CCN1C(=O)C(=CNC2=CC(=C(C=C2)Cl)C(=O)O)C(=O)N(C1=S)CC
InChI=1SC16H16ClN3O4Sc131913(21)11(14(22)20(42)16(19)25)81895612(17)10(79)15(23)24h5818H34H212H3(H2324)
MFCD03994644
ZINC000020254657
ZINC20254657
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