Vitas-M small molecule compound
(6Z)-6-{3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxybenzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK100213
SMILES CCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OC)OCCOc3ccc(cc3)C(C)(C)C)/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 C27H29BrN4O4S MW 585.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN4O4S/c1-6-22-31-32-24(29)19(25(33)30-26(32)37-22)13-16-14-20(28)23(21(15-16)34-5)36-12-11-35-18-9-7-17(8-10-18)27(2,3)4/h7-10,13-15,29H,6,11-12H2,1-5H3/b19-13-,29-24-InChIKey
NNRUCLHGLACHJG-SOKBHZKRSA-NSynonyms
(6Z)6(3bromo4(2(4tertbutylphenoxy)ethoxy)5methoxybenzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1sc2=NC(=O)C(=Cc3cc(Br)c(c(c3)OC)OCCOc3ccc(cc3)C(C)(C)C)C(=N)n2n1
MFCD02109879
ZINC000100642203
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