Vitas-M small molecule compound
(6Z)-6-{4-[2-(4-bromophenoxy)ethoxy]-3-ethoxybenzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK008543
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)OCC)OCCOc3ccc(cc3)Br)/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 C29H33BrN4O4S MW 613.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33BrN4O4S/c1-3-5-6-7-8-9-26-33-34-27(31)23(28(35)32-29(34)39-26)18-20-10-15-24(25(19-20)36-4-2)38-17-16-37-22-13-11-21(30)12-14-22/h10-15,18-19,31H,3-9,16-17H2,1-2H3/b23-18-,31-27-InChIKey
OLMBJCLDBYSHNK-WSCBVKPASA-NSynonyms
(6Z)6(4(2(4bromophenoxy)ethoxy)3ethoxybenzylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)OCC)OCCOc3ccc(cc3)Br)C2=N)s1
MFCD02119218
STK008543
ZINC000097957835
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