Vitas-M small molecule compound
3,3-dimethyl-1-{[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}butan-2-one
Catalog ID
STK205376
SMILES O=C(C(C)(C)C)CSc1nnc(o1)c1ccccc1[N+](=O)[O-]
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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 C14H15N3O4S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O4S/c1-14(2,3)11(18)8-22-13-16-15-12(21-13)9-6-4-5-7-10(9)17(19)20/h4-7H,8H2,1-3H3InChIKey
MVDGXDMZDGHAPM-UHFFFAOYSA-NSynonyms
33DIMETHYL1((5(2NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUTAN2ONE
CC(C)(C)C(=O)CSC1=NN=C(O1)C2=CC=CC=C2(N+)(=O)(O)
InChI=1SC14H15N3O4Sc114(23)11(18)82213161512(2113)9645710(9)17(19)20h47H8H213H3
MFCD04273949
O=C(C(C)(C)C)CSc1nnc(o1)c1ccccc1(N+)(=O)(O)
ZINC000004740809
ZINC04740809
ZINC4740809
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