Vitas-M small molecule compound

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

Catalog ID
STK142127
SMILES COC(=O)c1ccc(cc1Cl)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1C

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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/c1-13-6-4-5-7-15(13)20(30)24-11-18-26-27-22(28(18)2)33-12-19(29)25-14-8-9-16(17(23)10-14)21(31)32-3/h4-10H,11-12H2,1-3H3,(H,24,30)(H,25,29)
InChIKey
LMMAIQSRLNCWQO-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)C(=O)OC)Cl
InChI=1SC22H22ClN5O4Sc113645715(13)20(30)241118262722(28(18)2)331219(29)25148916(17(23)1014)21(31)323h410H1112H213H3(H2430)(H2529)
METHYL2CHLORO4((((4METHYL5((((2METHYLPHENYL)CARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO4((2((4METHYL5(((2METHYLBENZOYL)AMINO)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD08675051
ZINC000009601365
ZINC09601365
ZINC9601365

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Available files

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