Vitas-M small molecule compound
ethyl (2-methoxy-4-{(E)-[3-(3-nitrophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STL418931
SMILES CCOC(=O)COc1ccc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)[N+](=O)[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 C21H18N2O7S2 MW 474.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7S2/c1-3-29-19(24)12-30-16-8-7-13(9-17(16)28-2)10-18-20(25)22(21(31)32-18)14-5-4-6-15(11-14)23(26)27/h4-11H,3,12H2,1-2H3/b18-10+InChIKey
MTBLYADAJUVLMR-VCHYOVAHSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=CC=C3)(N+)(=O)(O))OC
CCOC(=O)COc1ccc(cc1OC)C=C1SC(=S)N(C1=O)c1cccc(c1)(N+)(=O)(O)
ethyl(2methoxy4((E)(3(3nitrophenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
ETHYL2(2METHOXY4((E)(3(3NITROPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC21H18N2O7S2c132919(24)1230168713(917(16)282)101820(25)22(21(31)3218)1454615(1114)23(26)27h411H312H212H3b1810+
MFCD03705953
ZINC000002988296
ZINC02988296
ZINC2988296
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