Vitas-M small molecule compound
4-{(E)-[3-(2-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate
Catalog ID
STL358255
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C\1/SC(=O)N(C1=O)Cc1ccccc1[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 C25H18N2O7S MW 490.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O7S/c1-33-19-12-8-17(9-13-19)24(29)34-20-10-6-16(7-11-20)14-22-23(28)26(25(30)35-22)15-18-4-2-3-5-21(18)27(31)32/h2-14H,15H2,1H3/b22-14+InChIKey
XMYNVGJOQYQDIG-HYARGMPZSA-NSynonyms
(4((E)(3((2nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenyl)4methoxybenzoate
4((E)(3(2nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4(N+)(=O)(O)
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C1SC(=O)N(C1=O)Cc1ccccc1(N+)(=O)(O)
InChI=1SC25H18N2O7Sc1331912817(91319)24(29)342010616(71120)142223(28)26(25(30)3522)1518423521(18)27(31)32h214H15H21H3b2214+
MFCD03905985
ZINC000009233143
ZINC09233143
ZINC9233143
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