Vitas-M small molecule compound
N-(4-bromo-2-chlorophenyl)-2-{[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL381205
SMILES O=C(Nc1ccc(cc1Cl)Br)CSc1nnc(n1c1ccccc1)CN1CCOCC1
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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 C21H21BrClN5O2S MW 522.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrClN5O2S/c22-15-6-7-18(17(23)12-15)24-20(29)14-31-21-26-25-19(13-27-8-10-30-11-9-27)28(21)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,24,29)InChIKey
RXAKHZVQIWOAKM-UHFFFAOYSA-NSynonyms
C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4)Br)Cl
InChI=1SC21H21BrClN5O2Sc22156718(17(23)1215)2420(29)143121262519(13278103011927)28(21)164213516h1712H8111314H2(H2429)
MFCD05991974
N(4BROMO2CHLOROPHENYL)2((5(MORPHOLIN4YLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4bromo2chlorophenyl)2((5(morpholin4ylmethyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000059603507
ZINC59603507
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