Vitas-M small molecule compound
ethyl 4-[({[5-(1-{[(2,4-dichlorophenyl)carbonyl]amino}-2-methylpropyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139847
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)C(C(C)C)NC(=O)c1ccc(cc1Cl)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 C26H29Cl2N5O4S MW 578.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29Cl2N5O4S/c1-5-33-23(22(15(3)4)30-24(35)19-12-9-17(27)13-20(19)28)31-32-26(33)38-14-21(34)29-18-10-7-16(8-11-18)25(36)37-6-2/h7-13,15,22H,5-6,14H2,1-4H3,(H,29,34)(H,30,35)InChIKey
QZJOYUDDSGLZCZ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C(C(C)C)NC(=O)C3=C(C=C(C=C3)Cl)Cl
ETHYL4((((5(1(((24DICHLOROPHENYL)CARBONYL)AMINO)2METHYLPROPYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5(1((24DICHLOROBENZOYL)AMINO)2METHYLPROPYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC26H29Cl2N5O4Sc153323(22(15(3)4)3024(35)1912917(27)1320(19)28)313226(33)381421(34)291810716(81118)25(36)3762h7131522H5614H214H3(H2934)(H3035)
MFCD04210037
ZINC000059738523
ZINC000059738526
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