Vitas-M small molecule compound
3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-chromen-2-one
Catalog ID
STK035381
SMILES O=c1oc2ccc(cc2cc1c1nnc(s1)NCc1ccccc1)[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 C18H12N4O4S MW 380.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O4S/c23-17-14(9-12-8-13(22(24)25)6-7-15(12)26-17)16-20-21-18(27-16)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,21)InChIKey
JYCRIKHVGJEKJE-UHFFFAOYSA-NSynonyms
3(5(BENZYLAMINO)134THIADIAZOL2YL)6NITRO2HCHROMEN2ONE
3(5(BENZYLAMINO)134THIADIAZOL2YL)6NITROCHROMEN2ONE
C1=CC=C(C=C1)CNC2=NN=C(S2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC18H12N4O4Sc231714(912813(22(24)25)6715(12)2617)16202118(2716)1910114213511h19H10H2(H1921)
MFCD02650716
O=c1oc2ccc(cc2cc1c1nnc(s1)NCc1ccccc1)(N+)(=O)(O)
STK035381
ZINC000002956077
ZINC02956077
ZINC2956077
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