Vitas-M small molecule compound
methyl 2-{[({5-[3-(2,4-dichlorophenoxy)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK139627
SMILES C=CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)Nc1ccccc1C(=O)OC
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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 C24H24Cl2N4O4S MW 535.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24Cl2N4O4S/c1-3-12-30-21(9-6-13-34-20-11-10-16(25)14-18(20)26)28-29-24(30)35-15-22(31)27-19-8-5-4-7-17(19)23(32)33-2/h3-5,7-8,10-11,14H,1,6,9,12-13,15H2,2H3,(H,27,31)InChIKey
DROUPNZUCHQSOF-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CCCOC3=C(C=C(C=C3)Cl)Cl
InChI=1SC24H24Cl2N4O4Sc13123021(96133420111016(25)1418(20)26)282924(30)351522(31)2719854717(19)23(32)332h3578101114H169121315H22H3(H2731)
METHYL2((((5(3(24DICHLOROPHENOXY)PROPYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5(3(24DICHLOROPHENOXY)PROPYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04397417
ZINC000059776067
ZINC59776067
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