Vitas-M small molecule compound
3-{[({4-ethyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
Catalog ID
STK211482
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CC(=O)Nc1ccccc1
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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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-2-26-17(12-18(27)22-15-8-4-3-5-9-15)24-25-21(26)31-13-19(28)23-16-10-6-7-14(11-16)20(29)30/h3-11H,2,12-13H2,1H3,(H,22,27)(H,23,28)(H,29,30)InChIKey
YDRBXSPKQPILDS-UHFFFAOYSA-NSynonyms
3((((4ETHYL5(2OXO2(PHENYLAMINO)ETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((5(2anilino2oxoethyl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CC(=O)NC3=CC=CC=C3
InChI=1SC21H21N5O4Sc122617(1218(27)22158435915)242521(26)311319(28)2316106714(1116)20(29)30h311H21213H21H3(H2227)(H2328)(H2930)
MFCD04380646
ZINC000010076372
ZINC10076372
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