Vitas-M small molecule compound

2-chloro-5-{5-[(E)-(4,6-dioxo-1-phenyl-3-propyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid

Catalog ID
STK198262
SMILES CCCN1C(=O)/C(=C\c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C(=O)N(C1=S)c1ccccc1

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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 C25H19ClN2O5S MW 494.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O5S/c1-2-12-27-22(29)19(23(30)28(25(27)34)16-6-4-3-5-7-16)14-17-9-11-21(33-17)15-8-10-20(26)18(13-15)24(31)32/h3-11,13-14H,2,12H2,1H3,(H,31,32)/b19-14+
InChIKey
URSPHIJEMUNISG-XMHGGMMESA-N
Synonyms

2CHLORO5(5((46DIOXO1PHENYL3PROPYL2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)BENZOICACID
2CHLORO5(5((E)(46DIOXO1PHENYL3PROPYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2CHLORO5(5((E)(46DIOXO1PHENYL3PROPYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)N(C1=S)C4=CC=CC=C4
CCCN1C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)N(C1=S)c1ccccc1
InChI=1SC25H19ClN2O5Sc12122722(29)19(23(30)28(25(27)34)166435716)141791121(3317)1581020(26)18(1315)24(31)32h3111314H212H21H3(H3132)b1914+
MFCD04597079
ZINC000008461771
ZINC8461771

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Available files

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