Vitas-M small molecule compound
(6E)-6-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3,5-dimethoxybenzylidene}-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK001758
SMILES COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C
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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 C31H30N4O5S MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O5S/c1-18-7-6-8-22(13-18)30-34-35-28(32)24(29(36)33-31(35)41-30)15-21-16-25(37-4)27(26(17-21)38-5)40-12-11-39-23-10-9-19(2)20(3)14-23/h6-10,13-17,32H,11-12H2,1-5H3/b24-15+,32-28-InChIKey
UTCQSOGJUFKILE-PURJLWRNSA-NSynonyms
(6E)6(4(2(34dimethylphenoxy)ethoxy)35dimethoxybenzylidene)5imino2(3methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)OC)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C
MFCD05977604
STK001758
ZINC000097957744
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