Vitas-M small molecule compound
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STK557581
SMILES O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc2c(c1)OCO2
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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 C24H18N6O5S MW 502.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N6O5S/c31-22(26-25-13-16-9-10-20-21(11-16)35-15-34-20)14-36-24-28-27-23(29(24)18-6-2-1-3-7-18)17-5-4-8-19(12-17)30(32)33/h1-13H,14-15H2,(H,26,31)/b25-13+InChIKey
RLYQXGJKVZTPQE-DHRITJCHSA-NSynonyms
347401-62-1(E)N(benzo(d)(13)dioxol5ylmethylene)2((5(3nitrophenyl)4phenyl4H124triazol3yl)thio)acetohydrazide
347401621
C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC24H18N6O5Sc3122(262513169102021(1116)35153420)143624282723(29(24)186213718)1754819(1217)30(32)33h113H1415H2(H2631)b2513+
MFCD01586479
N((E)13benzodioxol5ylmethylidene)2((5(3nitrophenyl)4phenyl4H124triazol3yl)sulfanyl)acetohydrazide
N((E)13benzodioxol5ylmethylideneamino)2((5(3nitrophenyl)4phenyl124triazol3yl)sulfanyl)acetamide
O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)(N+)(=O)(O))NN=Cc1ccc2c(c1)OCO2
ZINC000009313409
ZINC83312460
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