Vitas-M small molecule compound
(6E)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK073404
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OC)OCCOc3ccc(cc3)C(C)(C)C)/C2=N)s1
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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/c1-6-7-24-31-32-25(29)21(26(33)30-27(32)37-24)16-18-8-13-22(23(17-18)34-5)36-15-14-35-20-11-9-19(10-12-20)28(2,3)4/h8-13,16-17,29H,6-7,14-15H2,1-5H3/b21-16+,29-25+InChIKey
QZURBTJNEACUJK-WIYBPDPMSA-NSynonyms
(6E)6(4(2(4tertbutylphenoxy)ethoxy)3methoxybenzylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(4(tertbutyl)phenoxy)ethoxy)3methoxybenzylidene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)OC)OCCOc3ccc(cc3)C(C)(C)C)C2=N)s1
MFCD02118588
STK073404
ZINC000013898996
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