Vitas-M small molecule compound
ethyl 6-(5-{[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Catalog ID
STL477670
SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c(n1)[nH]c1c2cc(cc1)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 C21H21BrN6O4S MW 533.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN6O4S/c1-2-32-16(30)6-4-3-5-15(29)18-14(24-20(31)25-18)10-33-21-26-19-17(27-28-21)12-9-11(22)7-8-13(12)23-19/h7-9H,2-6,10H2,1H3,(H,23,26,28)(H2,24,25,31)InChIKey
SFGDNJRWVNRXAX-UHFFFAOYSA-NSynonyms
CCOC(=O)CCCCC(=O)c1(nH)c(=O)(nH)c1CSc1nnc2c(n1)(nH)c1c2cc(cc1)Br
CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2
ethyl6(5(((8bromo5H(124)triazino(56b)indol3yl)sulfanyl)methyl)2oxo23dihydro1Himidazol4yl)6oxohexanoate
ethyl6(5((8bromo5H(124)triazino(56b)indol3yl)sulfanylmethyl)2oxo13dihydroimidazol4yl)6oxohexanoate
InChI=1SC21H21BrN6O4Sc123216(30)643515(29)1814(2420(31)2518)103321261917(272821)12911(22)7813(12)2319h79H2610H21H3(H232628)(H2242531)
MFCD30502836
ZINC000334161075
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