Vitas-M small molecule compound
4-[(Z)-(2-heptyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK068877
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OS(=O)(=O)c3ccc(cc3)C)/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 C26H28N4O4S2 MW 524.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S2/c1-3-4-5-6-7-8-23-29-30-24(27)22(25(31)28-26(30)35-23)17-19-11-13-20(14-12-19)34-36(32,33)21-15-9-18(2)10-16-21/h9-17,27H,3-8H2,1-2H3/b22-17-,27-24-InChIKey
QEARPNOJKVYVMP-RQNIITQESA-NSynonyms
(Z)4((2heptyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
4((Z)(2heptyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
CCCCCCCc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OS(=O)(=O)c3ccc(cc3)C)C2=N)s1
MFCD02996881
STK068877
ZINC000100794532
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