Vitas-M small molecule compound

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

Catalog ID
STK116528
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)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 C22H22ClN5O4S MW 487.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O4S/c1-3-32-21(31)15-6-10-17(11-7-15)25-19(29)13-33-22-27-26-18(28(22)2)12-24-20(30)14-4-8-16(23)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,24,30)(H,25,29)
InChIKey
MBAUQWMZKPRZPY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)Cl
ETHYL4((((5((((4CHLOROPHENYL)CARBONYL)AMINO)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((((5(((4CHLOROBENZOYL)AMINO)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5(((4CHLOROBENZOYL)AMINO)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC22H22ClN5O4Sc133221(31)1561017(11715)2519(29)133322272618(28(22)2)122420(30)144816(23)9514h411H31213H212H3(H2430)(H2529)
MFCD04128106
ZINC000002840778
ZINC02840778
ZINC2840778

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Available files

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