Vitas-M small molecule compound
(6Z)-6-{3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-2-butyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK067128
SMILES CCCCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OCC)OCCOc3ccccc3OC)/C(=N)n2n1
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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 C27H29BrN4O5S MW 601.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN4O5S/c1-4-6-11-23-31-32-25(29)18(26(33)30-27(32)38-23)14-17-15-19(28)24(22(16-17)35-5-2)37-13-12-36-21-10-8-7-9-20(21)34-3/h7-10,14-16,29H,4-6,11-13H2,1-3H3/b18-14-,29-25-InChIKey
BEHHNBOPTILVMC-SXTVCVETSA-NSynonyms
(6Z)6(3bromo5ethoxy4(2(2methoxyphenoxy)ethoxy)benzylidene)2butyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCc1sc2=NC(=O)C(=Cc3cc(Br)c(c(c3)OCC)OCCOc3ccccc3OC)C(=N)n2n1
MFCD03079106
STK067128
ZINC000008495171
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