Vitas-M small molecule compound
(3-{(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid
Catalog ID
STK187344
SMILES Fc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=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 C21H14FN3O4S MW 423.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14FN3O4S/c22-13-4-3-5-14(9-13)25-20(29)16(19(28)23-21(25)30)8-12-10-24(11-18(26)27)17-7-2-1-6-15(12)17/h1-10H,11H2,(H,26,27)(H,23,28,30)/b16-8+InChIKey
OGLWAABRBKSAOW-LZYBPNLTSA-NSynonyms
(3((E)(1(3FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETICACID
2(3((E)(1(3fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)indol1yl)aceticacid
C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F
Fc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)CC(=O)O)C1=O
InChI=1SC21H14FN3O4Sc221343514(913)2520(29)16(19(28)2321(25)30)8121024(1118(26)27)17721615(12)17h110H11H2(H2627)(H232830)b168+
MFCD06666022
ZINC000019877621
ZINC19877621
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