Vitas-M small molecule compound
methyl 4-[({[5-({[(2,6-dimethylphenoxy)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK137308
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)CNC(=O)COc1c(C)cccc1C
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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 C24H27N5O5S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O5S/c1-15-6-5-7-16(2)22(15)34-13-20(30)25-12-19-27-28-24(29(19)3)35-14-21(31)26-18-10-8-17(9-11-18)23(32)33-4/h5-11H,12-14H2,1-4H3,(H,25,30)(H,26,31)InChIKey
XQFNPMKYVXRLHD-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)OCC(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC24H27N5O5Sc11565716(2)22(15)341320(30)251219272824(29(19)3)351421(31)261810817(91118)23(32)334h511H1214H214H3(H2530)(H2631)
METHYL4((((5((((26DIMETHYLPHENOXY)ACETYL)AMINO)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5(((2(26DIMETHYLPHENOXY)ACETYL)AMINO)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD03720652
ZINC000009305113
ZINC09305113
ZINC9305113
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