Vitas-M small molecule compound
(6E)-2-butyl-6-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK088874
SMILES CCCCc1sc2=NC(=O)/C(=C/c3ccc(c(c3)OC)OCCOc3cc(C)cc(c3)CC)/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 C28H32N4O4S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4S/c1-5-7-8-25-31-32-26(29)22(27(33)30-28(32)37-25)16-20-9-10-23(24(17-20)34-4)36-12-11-35-21-14-18(3)13-19(6-2)15-21/h9-10,13-17,29H,5-8,11-12H2,1-4H3/b22-16+,29-26+InChIKey
KOSGVXOKFMDBRW-ICFQFCHLSA-NSynonyms
(6E)2butyl6(4(2(3ethyl5methylphenoxy)ethoxy)3methoxybenzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCc1sc2=NC(=O)C(=Cc3ccc(c(c3)OC)OCCOc3cc(C)cc(c3)CC)C(=N)n2n1
MFCD03183368
STK088874
ZINC000009724378
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