Vitas-M small molecule compound
4-{5-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}-3-methylbenzoic acid
Catalog ID
STK075376
SMILES OC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1C(=O)N(C)C(=S)N(C1=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 C19H16N2O5S MW 384.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O5S/c1-10-8-11(18(24)25)4-6-13(10)15-7-5-12(26-15)9-14-16(22)20(2)19(27)21(3)17(14)23/h4-9H,1-3H3,(H,24,25)InChIKey
JYXMLINPUCEZOS-UHFFFAOYSA-NSynonyms
4(5((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
4(5((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC19H16N2O5Sc110811(18(24)25)4613(10)157512(2615)91416(22)20(2)19(27)21(3)17(14)23h49H13H3(H2425)
MFCD02779792
OC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1C(=O)N(C)C(=S)N(C1=O)C
STK075376
ZINC000001180404
ZINC1180404
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