Vitas-M small molecule compound

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

Catalog ID
STK219127
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)COc1cc(C)ccc1C

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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 C23H26N4O4S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S/c1-5-30-22(29)17-8-10-18(11-9-17)24-21(28)14-32-23-26-25-20(27(23)4)13-31-19-12-15(2)6-7-16(19)3/h6-12H,5,13-14H2,1-4H3,(H,24,28)
InChIKey
LHZLEGPMWNCGJN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)COC3=C(C=CC(=C3)C)C
ETHYL4((((5((25DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5((25DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC23H26N4O4Sc153022(29)1781018(11917)2421(28)143223262520(27(23)4)1331191215(2)6716(19)3h612H51314H214H3(H2428)
MFCD06007381
ZINC000001066658
ZINC01066658
ZINC1066658

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.