Vitas-M small molecule compound
(3-{(E)-[1-(2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid
Catalog ID
STK112984
SMILES OC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1C
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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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-13-6-2-4-8-17(13)25-21(29)16(20(28)23-22(25)30)10-14-11-24(12-19(26)27)18-9-5-3-7-15(14)18/h2-11H,12H2,1H3,(H,26,27)(H,23,28,30)/b16-10+InChIKey
QODBGRYTNYPGEG-MHWRWJLKSA-NSynonyms
(3((1(2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HINDOL1YL)ACETICACID
(3((E)(1(2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETICACID
2(3((E)(1(2METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETICACID
CC1=CC=CC=C1N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)NC2=S
InChI=1SC22H17N3O4Sc113624817(13)2521(29)16(20(28)2322(25)30)10141124(1219(26)27)18953715(14)18h211H12H21H3(H2627)(H232830)b1610+
MFCD03864894
OC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1C
ZINC000002144229
ZINC2144229
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