Vitas-M small molecule compound
(6E)-2-(3,4-dimethoxybenzyl)-5-imino-6-(naphthalen-1-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712806
SMILES COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C/c3cccc4c3cccc4)/C2=N)s1
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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 C25H20N4O3S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O3S/c1-31-20-11-10-15(12-21(20)32-2)13-22-28-29-23(26)19(24(30)27-25(29)33-22)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14,26H,13H2,1-2H3/b19-14+,26-23-InChIKey
BGZJUBPZRKICHI-ZYTRNQFMSA-NSynonyms
(6E)2(34dimethoxybenzyl)5imino6(naphthalen1ylmethylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(34dimethoxybenzyl)5imino6(naphthalen1ylmethylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OC)Cc1nn2c(=NC(=O)C(=Cc3cccc4c3cccc4)C2=N)s1
MFCD13371500
ZINC000033491971
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