Vitas-M small molecule compound

3,3-dimethyl-1-{5-[(3-nitrophenyl)amino]-1,2,4-thiadiazol-3-yl}butan-2-one

Catalog ID
STK450286
SMILES O=C(C(C)(C)C)Cc1nsc(n1)Nc1cccc(c1)[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 C14H16N4O3S MW 320.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O3S/c1-14(2,3)11(19)8-12-16-13(22-17-12)15-9-5-4-6-10(7-9)18(20)21/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKey
BMOCDVUMRRBHEP-UHFFFAOYSA-N
Synonyms

33DIMETHYL1(5((3NITROPHENYL)AMINO)(124THIADIAZOL3YL))BUTAN2ONE
33dimethyl1(5((3nitrophenyl)amino)124thiadiazol3yl)butan2one
33dimethyl1(5(3nitroanilino)124thiadiazol3yl)butan2one
CC(C)(C)C(=O)CC1=NSC(=N1)NC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC14H16N4O3Sc114(23)11(19)8121613(221712)15954610(79)18(20)21h47H8H213H3(H151617)
MFCD06194974
O=C(C(C)(C)C)Cc1nsc(n1)Nc1cccc(c1)(N+)(=O)(O)
ZINC000017055272
ZINC17055272

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Available files

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