Vitas-M small molecule compound

3-{5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}-6-nitro-2H-chromen-2-one

Catalog ID
STK003291
SMILES O=c1oc2ccc(cc2cc1c1nnc(s1)Nc1cccc(c1C)C)[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 C19H14N4O4S MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O4S/c1-10-4-3-5-15(11(10)2)20-19-22-21-17(28-19)14-9-12-8-13(23(25)26)6-7-16(12)27-18(14)24/h3-9H,1-2H3,(H,20,22)
InChIKey
GFMGOEXBEIMBJC-UHFFFAOYSA-N
Synonyms

3(5((23DIMETHYLPHENYL)AMINO)134THIADIAZOL2YL)6NITRO2HCHROMEN2ONE
3(5(23DIMETHYLANILINO)134THIADIAZOL2YL)6NITROCHROMEN2ONE
CC1=C(C(=CC=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O)C
InChI=1SC19H14N4O4Sc11043515(11(10)2)2019222117(2819)14912813(23(25)26)6716(12)2718(14)24h39H12H3(H2022)
MFCD08049099
O=c1oc2ccc(cc2cc1c1nnc(s1)Nc1cccc(c1C)C)(N+)(=O)(O)
STK003291
ZINC000004549091
ZINC04549091
ZINC4549091

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Available files

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