Vitas-M small molecule compound
2-bromo-N-({4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK186676
SMILES CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1CNC(=O)c1ccccc1Br
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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 C23H26BrN5O2S MW 516.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrN5O2S/c1-4-29-20(13-25-22(31)17-10-5-7-11-18(17)24)27-28-23(29)32-14-21(30)26-19-12-8-6-9-16(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,25,31)(H,26,30)InChIKey
YIZISZPBLWRKIL-UHFFFAOYSA-NSynonyms
2BROMON((4ETHYL5((2OXO2((2(PROPAN2YL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON((4ETHYL5(2OXO2(2PROPAN2YLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)CNC(=O)C3=CC=CC=C3Br
InChI=1SC23H26BrN5O2Sc142920(132522(31)1710571118(17)24)272823(29)321421(30)26191286916(19)15(2)3h51215H41314H213H3(H2531)(H2630)
MFCD05998887
ZINC000002867004
ZINC02867004
ZINC2867004
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