Vitas-M small molecule compound
3-[({[5-({[(2E)-3-(2-chlorophenyl)prop-2-enoyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182042
SMILES O=C(NCc1nnc(n1C)SCC(=O)Nc1cccc(c1)C(=O)O)/C=C/c1ccccc1Cl
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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 C22H20ClN5O4S MW 485.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O4S/c1-28-18(12-24-19(29)10-9-14-5-2-3-8-17(14)23)26-27-22(28)33-13-20(30)25-16-7-4-6-15(11-16)21(31)32/h2-11H,12-13H2,1H3,(H,24,29)(H,25,30)(H,31,32)/b10-9+InChIKey
UUAACHIWZYVTCL-MDZDMXLPSA-NSynonyms
3((((5((((2E)3(2chlorophenyl)prop2enoyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5((((E)3(2chlorophenyl)prop2enoyl)amino)methyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CNC(=O)C=CC3=CC=CC=C3Cl
InChI=1SC22H20ClN5O4Sc12818(122419(29)10914523817(14)23)262722(28)331320(30)251674615(1116)21(31)32h211H1213H21H3(H2429)(H2530)(H3132)b109+
MFCD04405672
O=C(NCc1nnc(n1C)SCC(=O)Nc1cccc(c1)C(=O)O)C=Cc1ccccc1Cl
ZINC000072191552
ZINC72191552
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