Vitas-M small molecule compound
methyl (2-methoxy-4-{(Z)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STK153056
SMILES COC(=O)COc1ccc(cc1OC)/C=C/1\SC(=O)N(C1=O)Cc1cccc(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 C21H18N2O8S MW 458.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O8S/c1-29-17-9-13(6-7-16(17)31-12-19(24)30-2)10-18-20(25)22(21(26)32-18)11-14-4-3-5-15(8-14)23(27)28/h3-10H,11-12H2,1-2H3/b18-10-InChIKey
GHLAYQCYHYKFGF-ZDLGFXPLSA-NSynonyms
COC(=O)COc1ccc(cc1OC)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O))OCC(=O)OC
InChI=1SC21H18N2O8Sc12917913(6716(17)311219(24)302)101820(25)22(21(26)3218)111443515(814)23(27)28h310H1112H212H3b1810
METHYL(2METHOXY4((Z)(3(3NITROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(2METHOXY4((Z)(3((3NITROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD04350654
ZINC000013880919
ZINC13880919
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