Vitas-M small molecule compound
3-(5-{(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
Catalog ID
STK187740
SMILES Fc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2C)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 C23H15FN2O5S MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15FN2O5S/c1-12-5-6-13(22(29)30)9-17(12)19-8-7-16(31-19)11-18-20(27)25-23(32)26(21(18)28)15-4-2-3-14(24)10-15/h2-11H,1H3,(H,29,30)(H,25,27,32)/b18-11+InChIKey
VLHPEUNBQPFLRF-WOJGMQOQSA-NSynonyms
3(5((E)(1(3FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
3(5((E)(1(3FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F
Fc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2C)C(=O)O)C1=O
InChI=1SC23H15FN2O5Sc1125613(22(29)30)917(12)198716(3119)111820(27)2523(32)26(21(18)28)1542314(24)1015h211H1H3(H2930)(H252732)b1811+
MFCD03710900
ZINC000003463027
ZINC3463027
Check stock
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Check stock on Vitas-MAvailable files
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