Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-6-{3,5-dimethoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STK073230
SMILES COc1cc(cc(c1OCCOc1ccccc1C)OC)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
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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 C30H28N4O5S2 MW 588.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O5S2/c1-19-9-7-8-12-23(19)38-13-14-39-26-24(36-2)16-21(17-25(26)37-3)15-22-27(31)34-29(32-28(22)35)41-33-30(34)40-18-20-10-5-4-6-11-20/h4-12,15-17,31H,13-14,18H2,1-3H3/b22-15-,31-27-InChIKey
CSYICJLLNNDRJW-DRVDVIDUSA-NSynonyms
(6Z)3(benzylsulfanyl)6(35dimethoxy4(2(2methylphenoxy)ethoxy)benzylidene)5imino56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
COc1cc(cc(c1OCCOc1ccccc1C)OC)C=C1C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
MFCD08672911
STK073230
ZINC000097958971
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