Vitas-M small molecule compound
2-[(E)-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]-6-ethoxyphenolate
Catalog ID
STL045468
SMILES CCOc1cccc(c1[O-])/C=N/NC(=O)CSc1n[nH+]c(s1)SCc1ccccc1Cl
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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 C20H19ClN4O3S3 MW 495.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S3/c1-2-28-16-9-5-7-13(18(16)27)10-22-23-17(26)12-30-20-25-24-19(31-20)29-11-14-6-3-4-8-15(14)21/h3-10,27H,2,11-12H2,1H3,(H,23,26)/b22-10+InChIKey
IZHJMRYTCAXMGL-LSHDLFTRSA-NSynonyms
497242-82-72((E)((2((5((2chlorophenyl)methylsulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)6ethoxyphenolate
2((E)(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)6ethoxyphenolate
497242827
CCOC1=CC=CC(=C1(O))C=NNC(=O)CSC2=N(NH+)=C(S2)SCC3=CC=CC=C3Cl
CCOc1cccc(c1(O))C=NNC(=O)CSc1n(nH+)c(s1)SCc1ccccc1Cl
InChI=1SC20H19ClN4O3S3c12281695713(18(16)27)10222317(26)123020252419(3120)291114634815(14)21h31027H21112H21H3(H2326)b2210+
MFCD03300205
ZINC000002341078
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