Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-5-imino-6-{3-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK031328
SMILES COc1cc(ccc1OCc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
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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 C28H24N4O3S2 MW 528.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O3S2/c1-18-7-6-10-21(13-18)16-35-23-12-11-20(15-24(23)34-2)14-22-25(29)32-27(30-26(22)33)37-28(31-32)36-17-19-8-4-3-5-9-19/h3-15,29H,16-17H2,1-2H3/b22-14-,29-25-InChIKey
HENNNCPCAQZGRF-WNCRWICOSA-NSynonyms
(6Z)2(benzylsulfanyl)5imino6(3methoxy4((3methylbenzyl)oxy)benzylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCc1cccc(c1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
MFCD03569714
STK031328
ZINC000097958164
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