Vitas-M small molecule compound
3-{[({4-ethyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
Catalog ID
STL183121
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1COc1ccc2c(c1)CCCC2
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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 C24H26N4O4S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S/c1-2-28-21(14-32-20-11-10-16-6-3-4-7-17(16)13-20)26-27-24(28)33-15-22(29)25-19-9-5-8-18(12-19)23(30)31/h5,8-13H,2-4,6-7,14-15H2,1H3,(H,25,29)(H,30,31)InChIKey
BPFSDWQXNXZZCR-UHFFFAOYSA-NSynonyms
3((((4ethyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4ethyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)COC3=CC4=C(CCCC4)C=C3
InChI=1SC24H26N4O4Sc122821(143220111016634717(16)1320)262724(28)331522(29)251995818(1219)23(30)31h5813H24671415H21H3(H2529)(H3031)
MFCD22125414
ZINC000072191484
ZINC72191484
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