Vitas-M small molecule compound
4-[(E)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 4-chlorobenzoate
Catalog ID
STK076628
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OC)OC(=O)c3ccc(cc3)Cl)/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 C23H19ClN4O4S MW 482.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O4S/c1-3-4-19-27-28-20(25)16(21(29)26-23(28)33-19)11-13-5-10-17(18(12-13)31-2)32-22(30)14-6-8-15(24)9-7-14/h5-12,25H,3-4H2,1-2H3/b16-11+,25-20+InChIKey
KOCPMMHQBFDHDE-OVZAPSBOSA-NSynonyms
(Z)4((5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4chlorobenzoate
4((E)(5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4chlorobenzoate
CCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)OC)OC(=O)c3ccc(cc3)Cl)C2=N)s1
MFCD03227325
STK076628
ZINC000009659814
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