Vitas-M small molecule compound
4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK574976
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1cc(ccc1Cl)[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 C18H16ClN5O5S MW 449.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O5S/c1-27-14-7-10(8-15(28-2)16(14)29-3)17-21-22-18(30)23(17)20-9-11-6-12(24(25)26)4-5-13(11)19/h4-9H,1-3H3,(H,22,30)/b20-9+InChIKey
ONJGOEMODKFETJ-AWQFTUOYSA-NSynonyms
498569-53-24(((E)(2chloro5nitrophenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)(2CHLORO5NITROPHENYL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
498569532
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC18H16ClN5O5Sc12714710(815(282)16(14)293)17212218(30)23(17)20911612(24(25)26)4513(11)19h49H13H3(H2230)b209+
MFCD07210052
ZINC000009318196
ZINC33362375
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