Vitas-M small molecule compound
2-ethoxy-4-[(Z)-(2-heptyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 2-nitrobenzenesulfonate
Catalog ID
STK385579
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)OCC)OS(=O)(=O)c3ccccc3[N+](=O)[O-])/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 C27H29N5O7S2 MW 599.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O7S2/c1-3-5-6-7-8-13-24-30-31-25(28)19(26(33)29-27(31)40-24)16-18-14-15-21(22(17-18)38-4-2)39-41(36,37)23-12-10-9-11-20(23)32(34)35/h9-12,14-17,28H,3-8,13H2,1-2H3/b19-16-,28-25-InChIKey
RVFXNLHHNUBQAD-LVBVOWIESA-NSynonyms
2ethoxy4((Z)(2heptyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl2nitrobenzenesulfonate
CCCCCCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)OCC)OS(=O)(=O)c3ccccc3(N+)(=O)(O))C2=N)s1
MFCD03648916
ZINC000101893545
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