Vitas-M small molecule compound
4-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK028585
SMILES CCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OC(=O)c2ccc(cc2)[N+](=O)[O-])/C1=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/c1-3-21-18(23)17(30-20(21)29)11-12-4-9-15(16(10-12)27-2)28-19(24)13-5-7-14(8-6-13)22(25)26/h4-11H,3H2,1-2H3/b17-11-InChIKey
LMKUVFXNCIMYHQ-BOPFTXTBSA-NSynonyms
(4((Z)(3ethyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((Z)(3ETHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL4NITROBENZOATE
CCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))OC)SC1=S
CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC(=O)c2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC20H16N2O6S2c132118(23)17(3020(21)29)11124915(16(1012)272)2819(24)135714(8613)22(25)26h411H3H212H3b1711
MFCD01458093
STK028585
ZINC000013940765
ZINC13940765
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