Vitas-M small molecule compound
4-{(Z)-[2-(4-chlorobenzyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-ethoxyphenolate
Catalog ID
STK567260
SMILES CCOc1cc(ccc1[O-])/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)Cc1ccc(cc1)Cl
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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 C21H17ClN4O3S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O3S/c1-2-29-17-10-13(5-8-16(17)27)9-15-19(23)26-21(24-20(15)28)30-18(25-26)11-12-3-6-14(22)7-4-12/h3-10,23,27H,2,11H2,1H3/b15-9-,23-19?InChIKey
ZJQMVGPTTUBDLL-POCCGPMPSA-NSynonyms
4((Z)(2(4chlorobenzyl)5iminio7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2ethoxyphenolate
CCOc1cc(ccc1(O))C=C1C(=O)N=c2n(C1=(NH2+))nc(s2)Cc1ccc(cc1)Cl
MFCD04187586
ZINC000009359415
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