Vitas-M small molecule compound

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

Catalog ID
STL416241
SMILES COc1cc(OC)cc(c1)c1nnc([nH]1)SCC(=O)Nc1cc(ccc1Cl)C(=O)OC

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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 C20H19ClN4O5S MW 462.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O5S/c1-28-13-6-12(7-14(9-13)29-2)18-23-20(25-24-18)31-10-17(26)22-16-8-11(19(27)30-3)4-5-15(16)21/h4-9H,10H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKey
IFESAWPVLAPVFF-UHFFFAOYSA-N
Synonyms

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)OC
COc1cc(OC)cc(c1)c1nnc((nH)1)SCC(=O)Nc1cc(ccc1Cl)C(=O)OC
InChI=1SC20H19ClN4O5Sc12813612(714(913)292)182320(252418)311017(26)2216811(19(27)303)4515(16)21h49H10H213H3(H2226)(H232425)
methyl4chloro3((((5(35dimethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4CHLORO3((2((5(35DIMETHOXYPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05842117
ZINC000006603383
ZINC06603383
ZINC6603383

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Available files

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