Vitas-M small molecule compound
(6Z)-6-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK557993
SMILES COc1cc(ccc1OCCOc1ccc(c(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
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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 C26H21ClN4O4S2 MW 553.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O4S2/c1-15-12-17(6-7-19(15)27)34-9-10-35-20-8-5-16(14-21(20)33-2)13-18-23(28)31-26(29-24(18)32)37-25(30-31)22-4-3-11-36-22/h3-8,11-14,28H,9-10H2,1-2H3/b18-13-,28-23-InChIKey
STXMWFXAUFRIAI-FLHRCCEKSA-NSynonyms
(6Z)6(4(2(4chloro3methylphenoxy)ethoxy)3methoxybenzylidene)5imino2(thiophen2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6(4(2(4chloro3methylphenoxy)ethoxy)3methoxybenzylidene)5imino2(thiophen2yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OCCOc1ccc(c(c1)C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccs1
MFCD04029211
ZINC000097964908
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