Vitas-M small molecule compound
ethyl (2E)-3-amino-2-({[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)but-2-enoate
Catalog ID
STK271749
SMILES CCOC(=O)/C(=C(/N)\C)/C(=O)CSc1nnc(o1)Cc1cccc2c1cccc2
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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/c1-3-27-20(26)19(13(2)22)17(25)12-29-21-24-23-18(28-21)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-12,22H2,1-2H3/b19-13+InChIKey
FLZMKGKLLMOEEV-CPNJWEJPSA-NSynonyms
CCOC(=O)C(=C(C)N)C(=O)CSC1=NN=C(O1)CC2=CC=CC3=CC=CC=C32
CCOC(=O)C(=C(N)C)C(=O)CSc1nnc(o1)Cc1cccc2c1cccc2
ethyl(2E)3amino2(((5(naphthalen1ylmethyl)134oxadiazol2yl)sulfanyl)acetyl)but2enoate
ETHYL(E)3AMINO2(2((5(NAPHTHALEN1YLMETHYL)134OXADIAZOL2YL)SULFANYL)ACETYL)BUT2ENOATE
InChI=1SC21H21N3O4Sc132720(26)19(13(2)22)17(25)122921242318(2821)1115968147451016(14)15h410H3111222H212H3b1913+
MFCD05258137
ZINC000100159152
ZINC100159152
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