Vitas-M small molecule compound
(3-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetic acid
Catalog ID
STK629740
SMILES OC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)S
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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/c22-15-6-2-4-8-17(15)25-20(29)14(19(28)23-21(25)30)9-12-10-24(11-18(26)27)16-7-3-1-5-13(12)16/h1-10H,11H2,(H,26,27)(H,23,28,30)/b14-9+InChIKey
QUZLRQNDPZNXEC-NTEUORMPSA-NSynonyms
(3((E)(1(2fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol1yl)aceticacid
2(3((E)(1(2fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)indol1yl)aceticacid
InChI=1SC21H14FN3O4Sc2215624817(15)2520(29)14(19(28)2321(25)30)9121024(1118(26)27)16731513(12)16h110H11H2(H2627)(H232830)b149+
MFCD09792541
OC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)N=C(N(C1=O)c1ccccc1F)S
ZINC000000875973
ZINC875973
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