Vitas-M small molecule compound
2-[({[4-ethyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK697477
SMILES CCn1c(SCC(=O)Nc2ccccc2C(=O)O)nnc1CN1CCOCC1
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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 C18H23N5O4S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5O4S/c1-2-23-15(11-22-7-9-27-10-8-22)20-21-18(23)28-12-16(24)19-14-6-4-3-5-13(14)17(25)26/h3-6H,2,7-12H2,1H3,(H,19,24)(H,25,26)InChIKey
PAWXDSWNXLSJAL-UHFFFAOYSA-NSynonyms
948175-65-32((((4ethyl5(morpholin4ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
2((2((4ethyl5(morpholin4ium4ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoate
2(2((4ethyl5(morpholinomethyl)4H124triazol3yl)thio)acetamido)benzoicacid
948175653
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)(O))C(NH+)3CCOCC3
InChI=1SC18H23N5O4Sc122315(1122792710822)202118(23)281216(24)1914643513(14)17(25)26h36H2712H21H3(H1924)(H2526)
MFCD09216311
ZINC000010676663
ZINC10676663
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