Vitas-M small molecule compound
3-[({[4-ethyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK289008
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=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(11-22-6-8-27-9-7-22)20-21-18(23)28-12-16(24)19-14-5-3-4-13(10-14)17(25)26/h3-5,10H,2,6-9,11-12H2,1H3,(H,19,24)(H,25,26)InChIKey
NSJNAYDWZCQKMV-UHFFFAOYSA-NSynonyms
3((((4ETHYL5(MORPHOLIN4YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((4ethyl5(morpholin4ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CN3CCOCC3
InChI=1SC18H23N5O4Sc122315(112268279722)202118(23)281216(24)191453413(1014)17(25)26h3510H2691112H21H3(H1924)(H2526)
MFCD09476219
ZINC000013944998
ZINC13944998
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