Vitas-M small molecule compound
2-methylpropyl 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
Catalog ID
STK878332
SMILES CC(COC(=O)c1ccc(cc1)NC=C1C(=O)NC(=S)NC1=O)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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c1-9(2)8-23-15(22)10-3-5-11(6-4-10)17-7-12-13(20)18-16(24)19-14(12)21/h3-7,9,17H,8H2,1-2H3,(H2,18,19,20,21,24)InChIKey
LSYPNENYWVKBPR-UHFFFAOYSA-NSynonyms
2methylpropyl4(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
2methylpropyl4((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)benzoate
CC(C)COC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)NC2=O
InChI=1SC16H17N3O4Sc19(2)82315(22)103511(6410)1771213(20)1816(24)1914(12)21h37917H8H212H3(H21819202124)
ISOBUTYL4(((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)AMINO)BENZOATE
MFCD11992776
ZINC000017113299
ZINC17113299
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