Vitas-M small molecule compound
(6Z)-6-{3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxybenzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK026449
SMILES COc1cc(cc(c1OCCOc1ccc(cc1)C1CCCCC1)Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
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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 C28H26BrF3N4O4S MW 651.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrF3N4O4S/c1-38-22-15-16(13-20-24(33)36-27(34-25(20)37)41-26(35-36)28(30,31)32)14-21(29)23(22)40-12-11-39-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h7-10,13-15,17,33H,2-6,11-12H2,1H3/b20-13-,33-24-InChIKey
VNZFQDHWGKEQDT-PCCYPZOISA-NSynonyms
(6Z)6(3bromo4(2(4cyclohexylphenoxy)ethoxy)5methoxybenzylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCCOc1ccc(cc1)C1CCCCC1)Br)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD03083723
STK026449
ZINC000008453102
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