Vitas-M small molecule compound
(6Z)-6-{3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL329805
SMILES CCOc1cc(cc(c1OCCOc1cccc(c1)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 C26H27ClN4O4S MW 527.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN4O4S/c1-4-7-22-30-31-24(28)19(25(32)29-26(31)36-22)13-17-14-20(27)23(21(15-17)33-5-2)35-11-10-34-18-9-6-8-16(3)12-18/h6,8-9,12-15,28H,4-5,7,10-11H2,1-3H3/b19-13-,28-24-InChIKey
GHQICMOKMJXIPO-PLVQEJQLSA-NSynonyms
(6Z)6(3chloro5ethoxy4(2(3methylphenoxy)ethoxy)benzylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3chloro5ethoxy4(2(mtolyloxy)ethoxy)benzylidene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1cc(cc(c1OCCOc1cccc(c1)C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC
MFCD02118634
ZINC000013799410
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