Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STL122473
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C(C)C)c1cc2c(o1)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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-13(2)24-20(19-11-15-6-3-4-9-18(15)29-19)22-23-21(24)30-12-17(26)14-7-5-8-16(10-14)25(27)28/h3-11,13H,12H2,1-2H3InChIKey
NMFXRRXENLPBKU-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((5(1benzofuran2yl)4propan2yl124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
CC(C)N1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC4=CC=CC=C4O3
InChI=1SC21H18N4O4Sc113(2)2420(191115634918(15)2919)222321(24)301217(26)1475816(1014)25(27)28h31113H12H212H3
MFCD17011666
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nnc(n1C(C)C)c1cc2c(o1)cccc2
ZINC000009595207
ZINC09595207
ZINC9595207
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