Vitas-M small molecule compound
4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
Catalog ID
STK177448
SMILES [O-][N+](=O)c1ccc(cc1)c1nnc(o1)SCC#CCOC(=O)c1sc2c(c1Cl)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 C21H12ClN3O5S2 MW 485.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClN3O5S2/c22-17-15-5-1-2-6-16(15)32-18(17)20(26)29-11-3-4-12-31-21-24-23-19(30-21)13-7-9-14(10-8-13)25(27)28/h1-2,5-10H,11-12H2InChIKey
UFFBIHBBWAKVON-UHFFFAOYSA-NSynonyms
669715-54-2(O)(N+)(=O)c1ccc(cc1)c1nnc(o1)SCC#CCOC(=O)c1sc2c(c1Cl)cccc2
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1yl3chlorobenzo(b)thiophene2carboxylate
669715542
C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC21H12ClN3O5S2c221715512616(15)3218(17)20(26)291134123121242319(3021)137914(10813)25(27)28h12510H1112H2
MFCD03662503
ZINC000002362919
ZINC02362919
ZINC2362919
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