Vitas-M small molecule compound
methyl 2-chloro-5-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK117847
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C
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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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-4-26-19(14-7-5-13(2)6-8-14)24-25-21(26)30-12-18(27)23-15-9-10-17(22)16(11-15)20(28)29-3/h5-11H,4,12H2,1-3H3,(H,23,27)InChIKey
HUZMIYCJYCMNMR-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)C3=CC=C(C=C3)C
InChI=1SC21H21ClN4O3Sc142619(147513(2)6814)242521(26)301218(27)231591017(22)16(1115)20(28)293h511H412H213H3(H2327)
METHYL2CHLORO5((((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04128236
ZINC000002841096
ZINC02841096
ZINC2841096
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