Vitas-M small molecule compound
(6Z)-6-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK047337
SMILES COc1cc(cc(c1OCCOc1cc(C)ccc1C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C24H23ClN4O4S MW 498.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O4S/c1-13-5-6-14(2)19(9-13)32-7-8-33-21-18(25)11-16(12-20(21)31-4)10-17-22(26)29-24(27-23(17)30)34-15(3)28-29/h5-6,9-12,26H,7-8H2,1-4H3/b17-10-,26-22-InChIKey
ITBHACSHDZISSI-KPMZSYOQSA-NSynonyms
(6Z)6(3chloro4(2(25dimethylphenoxy)ethoxy)5methoxybenzylidene)5imino2methyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCCOc1cc(C)ccc1C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)C
MFCD03141523
STK047337
ZINC000009434416
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