Vitas-M small molecule compound
4-{(Z)-[3-(2-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate
Catalog ID
STL370062
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)/C=C/1\SC(=O)N(C1=O)Cc1ccccc1F
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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 C25H19FN2O8S2 MW 558.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O8S2/c1-15-7-9-18(13-20(15)28(31)32)38(33,34)36-21-10-8-16(11-22(21)35-2)12-23-24(29)27(25(30)37-23)14-17-5-3-4-6-19(17)26/h3-13H,14H2,1-2H3/b23-12-InChIKey
BLMZWCZJMVJXDF-FMCGGJTJSA-NSynonyms
(4((Z)(3((2fluorophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)2methoxyphenyl)4methyl3nitrobenzenesulfonate
4((Z)(3(2fluorobenzyl)24dioxo13thiazolidin5ylidene)methyl)2methoxyphenyl4methyl3nitrobenzenesulfonate
CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4F)OC)(N+)(=O)(O)
COc1cc(ccc1OS(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))C)C=C1SC(=O)N(C1=O)Cc1ccccc1F
InChI=1SC25H19FN2O8S2c1157918(1320(15)28(31)32)38(3334)362110816(1122(21)352)122324(29)27(25(30)3723)1417534619(17)26h313H14H212H3b2312
MFCD06124564
ZINC000105968918
ZINC105968918
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