Vitas-M small molecule compound

methyl 2-[({[5-(4-{[(2-chlorophenyl)carbonyl]amino}phenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK135888
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)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 C26H22ClN5O4S MW 536.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5O4S/c1-32-23(16-11-13-17(14-12-16)28-24(34)18-7-3-5-9-20(18)27)30-31-26(32)37-15-22(33)29-21-10-6-4-8-19(21)25(35)36-2/h3-14H,15H2,1-2H3,(H,28,34)(H,29,33)
InChIKey
KAXDXDJQVBZIFF-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl
InChI=1SC26H22ClN5O4Sc13223(16111317(141216)2824(34)18735920(18)27)303126(32)371522(33)29211064819(21)25(35)362h314H15H212H3(H2834)(H2933)
METHYL2((((5(4(((2CHLOROPHENYL)CARBONYL)AMINO)PHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5(4((2CHLOROBENZOYL)AMINO)PHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06193824
ZINC000097995748
ZINC97995748

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Available files

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