Vitas-M small molecule compound
N-[4-bromo-2-(propan-2-yl)phenyl]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK114604
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)Nc1ccc(cc1C(C)C)Br
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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 C22H25BrN4O2S MW 489.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN4O2S/c1-5-27-21(15-6-9-17(29-4)10-7-15)25-26-22(27)30-13-20(28)24-19-11-8-16(23)12-18(19)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,28)InChIKey
RWQQTNPAFKHXPN-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(C)C)C3=CC=C(C=C3)OC
InChI=1SC22H25BrN4O2Sc152721(156917(294)10715)252622(27)301320(28)241911816(23)1218(19)14(2)3h61214H513H214H3(H2428)
MFCD04128280
N(4BROMO2(PROPAN2YL)PHENYL)2((4ETHYL5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2PROPAN2YLPHENYL)2((4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002841937
ZINC02841937
ZINC2841937
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