Vitas-M small molecule compound
2-(3-{(Z)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)propanoic acid
Catalog ID
STK192409
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cn(c2c1cccc2)C(C(=O)O)C)c1cccc(c1Cl)Cl
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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 C22H15Cl2N3O4S MW 488.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15Cl2N3O4S/c1-11(21(30)31)26-10-12(13-5-2-3-7-16(13)26)9-14-19(28)25-22(32)27(20(14)29)17-8-4-6-15(23)18(17)24/h2-11H,1H3,(H,30,31)(H,25,28,32)/b14-9-InChIKey
SPYSCTQBKXIWMU-ZROIWOOFSA-NSynonyms
2(3((Z)(1(23dichlorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)indol1yl)propanoicacid
2(3((Z)(1(23DICHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)PROPANOICACID
CC(C(=O)O)N1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl
InChI=1SC22H15Cl2N3O4Sc111(21(30)31)261012(13523716(13)26)91419(28)2522(32)27(20(14)29)1784615(23)18(17)24h211H1H3(H3031)(H252832)b149
MFCD04360634
O=C1NC(=S)N(C(=O)C1=Cc1cn(c2c1cccc2)C(C(=O)O)C)c1cccc(c1Cl)Cl
ZINC000009264602
ZINC000009264605
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