Vitas-M small molecule compound
2-ethoxy-4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-5-nitrobenzoate
Catalog ID
STK077466
SMILES CCOc1cc(ccc1OC(=O)c1cc(C)cc(c1)[N+](=O)[O-])/C=C\1/SC(=S)NC1=O
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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 C20H16N2O6S2 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O6S2/c1-3-27-16-8-12(9-17-18(23)21-20(29)30-17)4-5-15(16)28-19(24)13-6-11(2)7-14(10-13)22(25)26/h4-10H,3H2,1-2H3,(H,21,23,29)/b17-9+InChIKey
BEHHFBDNLNTHSG-RQZCQDPDSA-NSynonyms
(2ETHOXY4((E)(4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3METHYL5NITROBENZOATE
2ETHOXY4((E)(4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL3METHYL5NITROBENZOATE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)S2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C
CCOc1cc(ccc1OC(=O)c1cc(C)cc(c1)(N+)(=O)(O))C=C1SC(=S)NC1=O
InChI=1SC20H16N2O6S2c132716812(91718(23)2120(29)3017)4515(16)2819(24)13611(2)714(1013)22(25)26h410H3H212H3(H212329)b179+
MFCD02108947
STK077466
ZINC000009296548
ZINC9296548
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