Vitas-M small molecule compound
(6Z)-6-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK030262
SMILES CCOc1cc(cc(c1OCc1ccccc1Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
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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 C27H26Cl2N4O3S MW 557.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N4O3S/c1-2-35-22-14-16(13-21(29)23(22)36-15-18-10-6-7-11-20(18)28)12-19-24(30)33-27(31-25(19)34)37-26(32-33)17-8-4-3-5-9-17/h6-7,10-14,17,30H,2-5,8-9,15H2,1H3/b19-12-,30-24-InChIKey
UMSBAMRZPWYMSP-SVZZHUJYSA-NSynonyms
(6Z)6(3chloro4((2chlorobenzyl)oxy)5ethoxybenzylidene)2cyclohexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(cc(c1OCc1ccccc1Cl)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
MFCD08050259
STK030262
ZINC000097958149
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