Vitas-M small molecule compound
methyl 2-chloro-5-[({[5-(1-{[(2-chlorophenyl)carbonyl]amino}-3-methylbutyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK140036
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1C)C(NC(=O)c1ccccc1Cl)CC(C)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 C25H27Cl2N5O4S MW 564.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27Cl2N5O4S/c1-14(2)11-20(29-23(34)16-7-5-6-8-18(16)26)22-30-31-25(32(22)3)37-13-21(33)28-15-9-10-19(27)17(12-15)24(35)36-4/h5-10,12,14,20H,11,13H2,1-4H3,(H,28,33)(H,29,34)InChIKey
CGTQXRVNPJUECT-UHFFFAOYSA-NSynonyms
CC(C)CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)NC(=O)C3=CC=CC=C3Cl
InChI=1SC25H27Cl2N5O4Sc114(2)1120(2923(34)16756818(16)26)22303125(32(22)3)371321(33)281591019(27)17(1215)24(35)364h510121420H1113H214H3(H2833)(H2934)
METHYL2CHLORO5((((5(1(((2CHLOROPHENYL)CARBONYL)AMINO)3METHYLBUTYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((2((5(1((2CHLOROBENZOYL)AMINO)3METHYLBUTYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04212024
ZINC000059749795
ZINC000059749797
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