Vitas-M small molecule compound
4-{(E)-[3-(2-chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl 3-nitrobenzoate
Catalog ID
STL170414
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)c1ccccc1Cl
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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 C25H17ClN2O6S2 MW 541.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClN2O6S2/c1-2-33-21-12-15(10-11-20(21)34-24(30)16-6-5-7-17(14-16)28(31)32)13-22-23(29)27(25(35)36-22)19-9-4-3-8-18(19)26/h3-14H,2H2,1H3/b22-13+InChIKey
SZFSUOBEENVDII-LPYMAVHISA-NSynonyms
(4((E)(3(2CHLOROPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENYL)3NITROBENZOATE
4((E)(3(2chlorophenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2ethoxyphenyl3nitrobenzoate
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3Cl)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)c1ccccc1Cl
InChI=1SC25H17ClN2O6S2c1233211215(101120(21)3424(30)1665717(1416)28(31)32)132223(29)27(25(35)3622)19943818(19)26h314H2H21H3b2213+
MFCD01243532
ZINC000002779463
ZINC02779463
ZINC2779463
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