Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK556423
SMILES COc1c(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(cc1Cl)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 C17H15Cl2N9O3S2 MW 528.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15Cl2N9O3S2/c1-30-13-8(4-9(18)5-10(13)19)6-22-24-16(29)12-11(7-33-17-21-2-3-32-17)28(27-23-12)15-14(20)25-31-26-15/h4-6H,2-3,7H2,1H3,(H2,20,25)(H,24,29)/b22-6+InChIKey
XIDSDPIHWSJZJY-GEVRCRHISA-NSynonyms
573697-78-6(E)1(4amino125oxadiazol3yl)N(35dichloro2methoxybenzylidene)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(35dichloro2methoxyphenyl)methylidene)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(35DICHLORO2METHOXYPHENYL)METHYLIDENEAMINO)5(45DIHYDRO13THIAZOL2YLSULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
573697786
COC1=C(C=C(C=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4)Cl)Cl
COc1c(C=NNC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(cc1Cl)Cl
InChI=1SC17H15Cl2N9O3S2c130138(49(18)510(13)19)6222416(29)1211(7331721233217)28(272312)1514(20)25312615h46H237H21H3(H22025)(H2429)b226+
MFCD03339996
ZINC000002372604
ZINC102474080
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.