Vitas-M small molecule compound
2-{[5-{[(4-chlorophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chlorophenyl)methylidene]propanehydrazide
Catalog ID
STL171410
SMILES C=CCn1c(nnc1CNc1ccc(cc1)Cl)SC(C(=O)N/N=C/c1ccccc1Cl)C
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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 C22H22Cl2N6OS MW 489.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N6OS/c1-3-12-30-20(14-25-18-10-8-17(23)9-11-18)27-29-22(30)32-15(2)21(31)28-26-13-16-6-4-5-7-19(16)24/h3-11,13,15,25H,1,12,14H2,2H3,(H,28,31)/b26-13+InChIKey
VAJOIOQCNJKAIG-LGJNPRDNSA-NSynonyms
570418-03-02((4ALLYL5((4CHLOROANILINO)METHYL)4H124TRIAZOL3YL)SULFANYL)N(2CHLOROBENZYLIDENE)PROPANOHYDRAZIDE
2((5(((4chlorophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N((E)(2chlorophenyl)methylidene)propanehydrazide
2((5((4chloroanilino)methyl)4prop2enyl124triazol3yl)sulfanyl)N((E)(2chlorophenyl)methylideneamino)propanamide
570418030
C=CCn1c(nnc1CNc1ccc(cc1)Cl)SC(C(=O)NN=Cc1ccccc1Cl)C
CC(C(=O)NN=CC1=CC=CC=C1Cl)SC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)Cl
InChI=1SC22H22Cl2N6OSc13123020(14251810817(23)91118)272922(30)3215(2)21(31)28261316645719(16)24h311131525H11214H22H3(H2831)b2613+
MFCD01436889
ZINC000002097853
ZINC000002097858
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