Vitas-M small molecule compound
3-{(Z)-[5-imino-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK029170
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)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 C22H20N4O4S2 MW 468.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S2/c1-13(2)21-25-26-19(23)18(20(27)24-22(26)31-21)12-15-5-4-6-16(11-15)30-32(28,29)17-9-7-14(3)8-10-17/h4-13,23H,1-3H3/b18-12-,23-19-InChIKey
FYJWXMGBPOFXRZ-MEKYTMMYSA-NSynonyms
(E)3((5imino2isopropyl7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
3((Z)(5imino7oxo2(propan2yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD08050208
STK029170
ZINC000009137178
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