Vitas-M small molecule compound

N-{[5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl}-2-(morpholin-4-yl)-5-nitrobenzamide

Catalog ID
STK892223
SMILES CCc1nnc2n1nc(s2)c1ccc(c(c1)NC(=S)NC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-])C

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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 C24H24N8O4S2 MW 552.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N8O4S2/c1-3-20-27-28-24-31(20)29-22(38-24)15-5-4-14(2)18(12-15)25-23(37)26-21(33)17-13-16(32(34)35)6-7-19(17)30-8-10-36-11-9-30/h4-7,12-13H,3,8-11H2,1-2H3,(H2,25,26,33,37)
InChIKey
VZERITSXTHFZHQ-UHFFFAOYSA-N
Synonyms

CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=C(C=CC(=C4)(N+)(=O)(O))N5CCOCC5
CCc1nnc2n1nc(s2)c1ccc(c(c1)NC(=S)NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O))C
InChI=1SC24H24N8O4S2c132027282431(20)2922(3824)155414(2)18(1215)2523(37)2621(33)171316(32(34)35)6719(17)308103611930h471213H3811H212H3(H225263337)
MFCD06760391
N((5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methylphenyl)carbamothioyl)2(morpholin4yl)5nitrobenzamide
N((5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methylphenyl)carbamothioyl)2morpholin4yl5nitrobenzamide
ZINC000097948114
ZINC97948114

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Available files

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