Vitas-M small molecule compound
4-{5-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STL038071
SMILES SC1=NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2)C(=O)O)/C(=N1)O
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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 C16H10N2O5S MW 342.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N2O5S/c19-13-11(14(20)18-16(24)17-13)7-10-5-6-12(23-10)8-1-3-9(4-2-8)15(21)22/h1-7H,(H,21,22)(H2,17,18,19,20,24)InChIKey
YEMSGICYDBFFEZ-UHFFFAOYSA-NSynonyms
4(5((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((46DIOXO2THIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)2FURYL)BENZOICACID
4(5((Z)(6hydroxy4oxo2sulfanylpyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)C(=O)O
InChI=1SC16H10N2O5Sc191311(14(20)1816(24)1713)7105612(2310)8139(428)15(21)22h17H(H2122)(H21718192024)
MFCD04080185
SC1=NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C(=N1)O
ZINC274046
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