Vitas-M small molecule compound
propan-2-yl 3-[({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK116378
SMILES O=C(Nc1cccc(c1)C(=O)OC(C)C)CSc1nnc(o1)c1cccc(c1)C
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-13(2)27-20(26)16-8-5-9-17(11-16)22-18(25)12-29-21-24-23-19(28-21)15-7-4-6-14(3)10-15/h4-11,13H,12H2,1-3H3,(H,22,25)InChIKey
QKBPYNHJHUPIOQ-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC(=C3)C(=O)OC(C)C
InChI=1SC21H21N3O4Sc113(2)2720(26)1685917(1116)2218(25)122921242319(2821)1574614(3)1015h41113H12H213H3(H2225)
ISOPROPYL3((((5(3METHYLPHENYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04127865
PROPAN2YL3((((5(3METHYLPHENYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((5(3METHYLPHENYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000004671392
ZINC04671392
ZINC4671392
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