Vitas-M small molecule compound
2-ethoxy-4-[(Z)-(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 3-nitrobenzoate
Catalog ID
STK060327
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC
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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 C23H19N5O6S MW 493.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O6S/c1-3-19-26-27-20(24)16(21(29)25-23(27)35-19)10-13-8-9-17(18(11-13)33-4-2)34-22(30)14-6-5-7-15(12-14)28(31)32/h5-12,24H,3-4H2,1-2H3/b16-10-,24-20-InChIKey
KVVPEQCWTKNISX-SJJWAQBGSA-NSynonyms
(E)2ethoxy4((2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl3nitrobenzoate
2ethoxy4((Z)(2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl3nitrobenzoate
CCOc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02220606
STK060327
ZINC000013896710
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