Vitas-M small molecule compound
4-[(E)-{2-[(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene}methyl]-2-ethoxyphenyl 3-nitrobenzoate
Catalog ID
STK020622
SMILES CCOc1cc(/C=N/NC(=O)Cc2nnc(s2)N)ccc1OC(=O)c1cccc(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 C20H18N6O6S MW 470.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O6S/c1-2-31-16-8-12(11-22-23-17(27)10-18-24-25-20(21)33-18)6-7-15(16)32-19(28)13-4-3-5-14(9-13)26(29)30/h3-9,11H,2,10H2,1H3,(H2,21,25)(H,23,27)/b22-11+InChIKey
ZBZWGJSCGWBMBR-SSDVNMTOSA-NSynonyms
(4((E)((2(5amino134thiadiazol2yl)acetyl)hydrazinylidene)methyl)2ethoxyphenyl)3nitrobenzoate
4((E)(2((5AMINO134THIADIAZOL2YL)ACETYL)HYDRAZINYLIDENE)METHYL)2ETHOXYPHENYL3NITROBENZOATE
CCOC1=C(C=CC(=C1)C=NNC(=O)CC2=NN=C(S2)N)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOc1cc(C=NNC(=O)Cc2nnc(s2)N)ccc1OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H18N6O6Sc123116812(11222317(27)1018242520(21)3318)6715(16)3219(28)1343514(913)26(29)30h3911H210H21H3(H22125)(H2327)b2211+
MFCD02205914
STK020622
ZINC000009057135
ZINC34704784
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