Vitas-M small molecule compound

4-(2-{(E)-[1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK190284
SMILES Brc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cccn2c2ccc(cc2)C(=O)O)/C1=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 C22H14BrN3O4S MW 496.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN3O4S/c23-14-3-1-4-17(11-14)26-20(28)18(19(27)24-22(26)31)12-16-5-2-10-25(16)15-8-6-13(7-9-15)21(29)30/h1-12H,(H,29,30)(H,24,27,31)/b18-12+
InChIKey
LGOKCPVJFFWIGN-LDADJPATSA-N
Synonyms

4(2((E)(1(3bromophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)pyrrol1yl)benzoicacid
4(2((E)(1(3BROMOPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
Brc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2)C(=O)O)C1=O
C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)NC2=S
InChI=1SC22H14BrN3O4Sc231431417(1114)2620(28)18(19(27)2422(26)31)1216521025(16)158613(7915)21(29)30h112H(H2930)(H242731)b1812+
MFCD07546889
ZINC000009908244
ZINC9908244

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Available files

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