Vitas-M small molecule compound

4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl 4-chlorobenzoate

Catalog ID
STK564603
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OC(=O)c1ccc(cc1)Cl

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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 C25H22ClN9O5S2 MW 628.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN9O5S2/c1-2-38-19-11-14(3-8-18(19)39-24(37)15-4-6-16(26)7-5-15)12-29-31-23(36)20-17(13-42-25-28-9-10-41-25)35(34-30-20)22-21(27)32-40-33-22/h3-8,11-12H,2,9-10,13H2,1H3,(H2,27,32)(H,31,36)/b29-12+
InChIKey
PDNSMFPGJPNWFM-XKJRVUDJSA-N
Synonyms

(4((E)((1(4amino125oxadiazol3yl)5(45dihydro13thiazol2ylsulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)2ethoxyphenyl)4chlorobenzoate
(E)4((2(1(4amino125oxadiazol3yl)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbonyl)hydrazono)methyl)2ethoxyphenyl4chlorobenzoate
4((E)(2((1(4amino125oxadiazol3yl)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2ethoxyphenyl4chlorobenzoate
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4)OC(=O)C5=CC=C(C=C5)Cl
CCOc1cc(C=NNC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OC(=O)c1ccc(cc1)Cl
InChI=1SC25H22ClN9O5S2c1238191114(3818(19)3924(37)154616(26)7515)12293123(36)2017(134225289104125)35(343020)2221(27)32403322h381112H291013H21H3(H22732)(H3136)b2912+
MFCD03340119
ZINC000097967091
ZINC150597836

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Available files

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