Vitas-M small molecule compound

methyl 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
STK038751
SMILES COC(=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 C25H27Cl2N5O4S MW 564.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27Cl2N5O4S/c1-5-32-22(21(14(2)3)29-23(34)18-11-8-16(26)12-19(18)27)30-31-25(32)37-13-20(33)28-17-9-6-15(7-10-17)24(35)36-4/h6-12,14,21H,5,13H2,1-4H3,(H,28,33)(H,29,34)
InChIKey
MTFWWMKCJHBLOJ-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C(C(C)C)NC(=O)C3=C(C=C(C=C3)Cl)Cl
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)C(C(C)C)NC(=O)c1ccc(cc1Cl)Cl
InChI=1SC25H27Cl2N5O4Sc153222(21(14(2)3)2923(34)1811816(26)1219(18)27)303125(32)371320(33)28179615(71017)24(35)364h6121421H513H214H3(H2833)(H2934)
METHYL4((((5(1(((24DICHLOROPHENYL)CARBONYL)AMINO)2METHYLPROPYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5(1((24DICHLOROBENZOYL)AMINO)2METHYLPROPYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD03563953
STK038751
ZINC000097995331
ZINC000097995332

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Available files

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