Vitas-M small molecule compound
(6E)-6-{3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(2-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK047349
SMILES COc1cc(cc(c1OCCOc1ccccc1C)Br)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1ccccc1C
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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 C29H25BrN4O4S MW 605.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN4O4S/c1-17-8-4-6-10-20(17)28-33-34-26(31)21(27(35)32-29(34)39-28)14-19-15-22(30)25(24(16-19)36-3)38-13-12-37-23-11-7-5-9-18(23)2/h4-11,14-16,31H,12-13H2,1-3H3/b21-14+,31-26+InChIKey
BJUUNGRCDHDJGI-XWPNWSLBSA-NSynonyms
(6E)6(3bromo5methoxy4(2(2methylphenoxy)ethoxy)benzylidene)5imino2(2methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCCOc1ccccc1C)Br)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccccc1C
MFCD03183212
STK047349
ZINC000097958628
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