Vitas-M small molecule compound
2-{[(E)-(4-{[5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL558379
SMILES N#Cc1c(/N=C/c2ccc(c(c2)[N+](=O)[O-])Sc2nnc([nH]2)c2ccc(cc2Cl)Cl)sc2c1CCCC2
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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 C24H16Cl2N6O2S2 MW 555.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16Cl2N6O2S2/c25-14-6-7-16(18(26)10-14)22-29-24(31-30-22)36-21-8-5-13(9-19(21)32(33)34)12-28-23-17(11-27)15-3-1-2-4-20(15)35-23/h5-10,12H,1-4H2,(H,29,30,31)/b28-12+InChIKey
FNFQCYVJACNODE-KVSWJAHQSA-NSynonyms
2(((E)(4((5(24dichlorophenyl)4H124triazol3yl)sulfanyl)3nitrophenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((~(E))(4((5(24dichlorophenyl)1~(H)124triazol3yl)sulfanyl)3nitrophenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
24207726
InChI=1SC24H16Cl2N6O2S2c25146716(18(26)1014)222924(313022)36218513(919(21)32(33)34)12282317(1127)15312420(15)3523h51012H14H2(H293031)b2812+
MFCD04593869
ZINC000003766994
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