Vitas-M small molecule compound
N-tert-butyl-2-[(4-ethyl-5-{2-[(2-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide
Catalog ID
STK297685
SMILES CCC(C(=O)NC(C)(C)C)Sc1nnc(n1CC)CC(=O)Nc1ccccc1C
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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 C21H31N5O2S MW 417.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O2S/c1-7-16(19(28)23-21(4,5)6)29-20-25-24-17(26(20)8-2)13-18(27)22-15-12-10-9-11-14(15)3/h9-12,16H,7-8,13H2,1-6H3,(H,22,27)(H,23,28)InChIKey
KLLLZYAVJRBNQP-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC(C)(C)C)SC1=NN=C(N1CC)CC(=O)NC2=CC=CC=C2C
InChI=1SC21H31N5O2Sc1716(19(28)2321(45)6)2920252417(26(20)82)1318(27)2215121091114(15)3h91216H7813H216H3(H2227)(H2328)
MFCD09876655
Ntertbutyl2((4ethyl5(2((2methylphenyl)amino)2oxoethyl)4H124triazol3yl)sulfanyl)butanamide
Ntertbutyl2((4ethyl5(2(2methylanilino)2oxoethyl)124triazol3yl)sulfanyl)butanamide
NTERTBUTYL2(4ETHYL5(OTOLYLCARBAMOYLMETHYL)4H(124)TRIAZOL3YLSULFANYL)BUTYRAMIDE
ZINC000013956510
ZINC000013956513
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