Vitas-M small molecule compound
N-cyclohexyl-2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
Catalog ID
STK297742
SMILES CCn1c(nnc1SC(C(=O)NC1CCCCC1)C)CC(=O)Nc1ccc(cc1)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 C22H31N5O2S MW 429.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O2S/c1-4-27-19(14-20(28)23-18-12-10-15(2)11-13-18)25-26-22(27)30-16(3)21(29)24-17-8-6-5-7-9-17/h10-13,16-17H,4-9,14H2,1-3H3,(H,23,28)(H,24,29)InChIKey
MWXBJJTZPKPUBN-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CC(=O)NC3=CC=C(C=C3)C
InChI=1SC22H31N5O2Sc142719(1420(28)2318121015(2)111318)252622(27)3016(3)21(29)24178657917h10131617H4914H213H3(H2328)(H2429)
MFCD09961136
Ncyclohexyl2((4ethyl5(2((4methylphenyl)amino)2oxoethyl)4H124triazol3yl)sulfanyl)propanamide
Ncyclohexyl2((4ethyl5(2(4methylanilino)2oxoethyl)124triazol3yl)sulfanyl)propanamide
NCYCLOHEXYL2(4ETHYL5(PTOLYLCARBAMOYLMETHYL)4H(124)TRIAZOL3YLSULFANYL)PROPIONAMIDE
ZINC000013956628
ZINC000013956630
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