Vitas-M small molecule compound
1-{benzyl[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}-N-(2,6-dimethylphenyl)cyclohexanecarboxamide
Catalog ID
STK021724
SMILES O=C(N(C1(CCCCC1)C(=O)Nc1c(C)cccc1C)Cc1ccccc1)CSc1[nH]cnn1
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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 C26H31N5O2S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O2S/c1-19-10-9-11-20(2)23(19)29-24(33)26(14-7-4-8-15-26)31(16-21-12-5-3-6-13-21)22(32)17-34-25-27-18-28-30-25/h3,5-6,9-13,18H,4,7-8,14-17H2,1-2H3,(H,29,33)(H,27,28,30)InChIKey
MRYBYWTXHKUSEC-UHFFFAOYSA-NSynonyms
1(BENZYL((4H124TRIAZOL3YLSULFANYL)ACETYL)AMINO)N(26DIMETHYLPHENYL)CYCLOHEXANECARBOXAMIDE
1(benzyl(2(1H124triazol5ylsulfanyl)acetyl)amino)N(26dimethylphenyl)cyclohexane1carboxamide
CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(CC3=CC=CC=C3)C(=O)CSC4=NC=NN4
InChI=1SC26H31N5O2Sc1191091120(2)23(19)2924(33)26(147481526)31(1621125361321)22(32)1734252718283025h35691318H4781417H212H3(H2933)(H272830)
MFCD08049885
O=C(N(C1(CCCCC1)C(=O)Nc1c(C)cccc1C)Cc1ccccc1)CSc1(nH)cnn1
STK021724
ZINC000013940395
ZINC13940395
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