Vitas-M small molecule compound
4-{(Z)-[2-(3,4-dimethoxybenzyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate
Catalog ID
STK565052
SMILES COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)[O-])/C2=[NH2+])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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-28-16-8-5-13(10-17(16)29-2)11-18-24-25-19(22)15(20(27)23-21(25)30-18)9-12-3-6-14(26)7-4-12/h3-10,22,26H,11H2,1-2H3/b15-9-,22-19?InChIKey
QAGGQPSVZFGYGH-RBJHLIOGSA-NSynonyms
4((Z)(2(34dimethoxybenzyl)5iminio7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenolate
COc1cc(ccc1OC)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)(O))C2=(NH2+))s1
MFCD04029463
ZINC000009312603
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