Vitas-M small molecule compound

methyl 2-chloro-5-[({[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK119196
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1CC)c1ccc(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 C20H17Cl3N4O3S MW 499.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl3N4O3S/c1-3-27-18(13-6-4-11(21)8-16(13)23)25-26-20(27)31-10-17(28)24-12-5-7-15(22)14(9-12)19(29)30-2/h4-9H,3,10H2,1-2H3,(H,24,28)
InChIKey
IUXSKBDQZGSXIH-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC20H17Cl3N4O3Sc132718(136411(21)816(13)23)252620(27)311017(28)24125715(22)14(912)19(29)302h49H310H212H3(H2428)
METHYL2CHLORO5((((5(24DICHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((2((5(24DICHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04128498
ZINC000001132210
ZINC01132210
ZINC1132210

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Available files

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