Vitas-M small molecule compound
(6E)-6-{3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK094838
SMILES COc1ccc(cc1)OCCOc1c(Br)cc(cc1OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C
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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 C23H21BrN4O5S MW 545.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O5S/c1-13-27-28-21(25)17(22(29)26-23(28)34-13)10-14-11-18(24)20(19(12-14)31-3)33-9-8-32-16-6-4-15(30-2)5-7-16/h4-7,10-12,25H,8-9H2,1-3H3/b17-10+,25-21+InChIKey
OTDZRGLCILFJPM-HIIREOAKSA-NSynonyms
(6E)6(3bromo5methoxy4(2(4methoxyphenoxy)ethoxy)benzylidene)5imino2methyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1ccc(cc1)OCCOc1c(Br)cc(cc1OC)C=C1C(=O)N=c2n(C1=N)nc(s2)C
MFCD03183019
STK094838
ZINC000097959259
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