Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-3-(4-methyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propanamide
Catalog ID
STK497806
SMILES O=C(Nc1ccc(c(c1)Cl)C)CCc1nnc(n1C)SCC(=O)N1CCCCC1
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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 C20H26ClN5O2S MW 435.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26ClN5O2S/c1-14-6-7-15(12-16(14)21)22-18(27)9-8-17-23-24-20(25(17)2)29-13-19(28)26-10-4-3-5-11-26/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,22,27)InChIKey
BGQHRMRLWMNBMU-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)N3CCCCC3)Cl
InChI=1SC20H26ClN5O2Sc1146715(1216(14)21)2218(27)9817232420(25(17)2)291319(28)26104351126h6712H3581113H212H3(H2227)
MFCD09172970
N(3chloro4methylphenyl)3(4methyl5((2oxo2(piperidin1yl)ethyl)sulfanyl)4H124triazol3yl)propanamide
N(3chloro4methylphenyl)3(4methyl5(2oxo2piperidin1ylethyl)sulfanyl124triazol3yl)propanamide
ZINC000011411900
ZINC11411900
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