Vitas-M small molecule compound
N-cyclohexyl-2-[(4-ethyl-5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
Catalog ID
STK297413
SMILES CCn1c(nnc1CC(=O)Nc1ccccc1F)SC(C(=O)NC1CCCCC1)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 C21H28FN5O2S MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28FN5O2S/c1-3-27-18(13-19(28)24-17-12-8-7-11-16(17)22)25-26-21(27)30-14(2)20(29)23-15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
QCBNAUATFLNTBK-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CC(=O)NC3=CC=CC=C3F
InChI=1SC21H28FN5O2Sc132718(1319(28)241712871116(17)22)252621(27)3014(2)20(29)231595461015h7811121415H3691013H212H3(H2329)(H2428)
MFCD09960984
Ncyclohexyl2((4ethyl5(2((2fluorophenyl)amino)2oxoethyl)4H124triazol3yl)sulfanyl)propanamide
Ncyclohexyl2((4ethyl5(2(2fluoroanilino)2oxoethyl)124triazol3yl)sulfanyl)propanamide
NCYCLOHEXYL2(4ETHYL5((2FLUOROPHENYLCARBAMOYL)METHYL)4H(124)TRIAZOL3YLSULFANYL)PROPIONAMIDE
ZINC000013956407
ZINC000013956410
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