Vitas-M small molecule compound
(6Z)-6-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-methoxybenzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK037524
SMILES CCc1sc2=NC(=O)/C(=C\c3ccc(c(c3)OC)OCCOc3ccc(cc3)C(CC)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 C27H30N4O4S MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4S/c1-5-17(3)19-8-10-20(11-9-19)34-13-14-35-22-12-7-18(16-23(22)33-4)15-21-25(28)31-27(29-26(21)32)36-24(6-2)30-31/h7-12,15-17,28H,5-6,13-14H2,1-4H3/b21-15-,28-25-InChIKey
WOIJHJWWTNXNLM-ZAJVCVOBSA-NSynonyms
(6Z)6(4(2(4(butan2yl)phenoxy)ethoxy)3methoxybenzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(4(secbutyl)phenoxy)ethoxy)3methoxybenzylidene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1sc2=NC(=O)C(=Cc3ccc(c(c3)OC)OCCOc3ccc(cc3)C(CC)C)C(=N)n2n1
MFCD02109837
STK037524
ZINC000009333744
ZINC000009333746
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