Vitas-M small molecule compound
(6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-ethoxybenzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK380396
SMILES CCOc1cc(cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CCC
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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 C29H33ClN4O4S MW 569.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33ClN4O4S/c1-6-8-24-33-34-26(31)21(27(35)32-28(34)39-24)15-18-16-22(30)25(23(17-18)36-7-2)38-14-13-37-20-11-9-19(10-12-20)29(3,4)5/h9-12,15-17,31H,6-8,13-14H2,1-5H3/b21-15-,31-26-InChIKey
ZJYITJDAIWUSQF-PLHZPUSBSA-NSynonyms
(6Z)6(4(2(4tertbutylphenoxy)ethoxy)3chloro5ethoxybenzylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC
MFCD02314188
ZINC000097962972
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