Vitas-M small molecule compound
(6Z)-2-(2-chlorophenyl)-6-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK057314
SMILES CCOc1cc(ccc1OCCOc1cc(C)cc(c1)CC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl
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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 C31H29ClN4O4S MW 589.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O4S/c1-4-20-14-19(3)15-22(16-20)39-12-13-40-26-11-10-21(18-27(26)38-5-2)17-24-28(33)36-31(34-29(24)37)41-30(35-36)23-8-6-7-9-25(23)32/h6-11,14-18,33H,4-5,12-13H2,1-3H3/b24-17-,33-28-InChIKey
XROSMJUHVMMQIF-VPVWQDMYSA-NSynonyms
(6Z)2(2chlorophenyl)6(3ethoxy4(2(3ethyl5methylphenoxy)ethoxy)benzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCCOc1cc(C)cc(c1)CC)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl
MFCD02951043
STK057314
ZINC000008494618
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