Vitas-M small molecule compound
4-{(E)-[2-(3-{(4E)-4-[4-(acetyloxy)-3,5-dibromobenzylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl}-5-{(4Z)-4-[4-(acetyloxy)-3,5-dibromobenzylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl}phenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2,6-dibromophenyl acetate
Catalog ID
STK671821
SMILES CC(=O)Oc1c(Br)cc(cc1Br)/C=C/1\N=C(OC1=O)c1cc(cc(c1)C1=N/C(=C/c2cc(Br)c(c(c2)Br)OC(=O)C)/C(=O)O1)C1=N/C(=C/c2cc(Br)c(c(c2)Br)OC(=O)C)/C(=O)O1
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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 C42H21Br6N3O12 MW 1239.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H21Br6N3O12/c1-16(52)58-34-25(43)4-19(5-26(34)44)10-31-40(55)61-37(49-31)22-13-23(38-50-32(41(56)62-38)11-20-6-27(45)35(28(46)7-20)59-17(2)53)15-24(14-22)39-51-33(42(57)63-39)12-21-8-29(47)36(30(48)9-21)60-18(3)54/h4-15H,1-3H3/b31-10-,32-11+,3InChIKey
XGNDKFKMIMVCGO-ZZNLKAIMSA-NSynonyms
(4((E)(2(3((4Z)4((4ACETYLOXY35DIBROMOPHENYL)METHYLIDENE)5OXO13OXAZOL2YL)5((4E)4((4ACETYLOXY35DIBROMOPHENYL)METHYLIDENE)5OXO13OXAZOL2YL)PHENYL)5OXO13OXAZOL4YLIDENE)METHYL)26DIBROMOPHENYL)ACETATE
4((E)(2(3((4E)4(4(acetyloxy)35dibromobenzylidene)5oxo45dihydro13oxazol2yl)5((4Z)4(4(acetyloxy)35dibromobenzylidene)5oxo45dihydro13oxazol2yl)phenyl)5oxo13oxaz
CC(=O)OC1=C(C=C(C=C1Br)C=C2C(=O)OC(=N2)C3=CC(=CC(=C3)C4=NC(=CC5=CC(=C(C(=C5)Br)OC(=O)C)Br)C(=O)O4)C6=NC(=CC7=CC(=C(C(=C7)Br)OC(=O)C)Br)C(=O)O6)Br
CC(=O)Oc1c(Br)cc(cc1Br)C=C1N=C(OC1=O)c1cc(cc(c1)C1=NC(=Cc2cc(Br)c(c(c2)Br)OC(=O)C)C(=O)O1)C1=NC(=Cc2cc(Br)c(c(c2)Br)OC(=O)C)C(=O)O1
InChI=1SC42H21Br6N3O12c116(52)583425(43)419(526(34)44)103140(55)6137(4931)221323(385032(41(56)6238)1120627(45)35(28(46)720)5917(2)53)1524(1422)395133(42(57)6339)1221829(47)36(30(48)921)6018(3)54h415H13H3b31103211+3312+
MFCD00821254
OL4(5H)YLIDENE)METHYL)26DIBROMOPHENYLACETATE
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