Vitas-M small molecule compound
(5Z)-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157462
SMILES CCOc1cc(ccc1OCC#C)/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 C22H18N2O6S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O6S/c1-3-10-30-18-9-8-15(12-19(18)29-4-2)13-20-21(25)23(22(26)31-20)14-16-6-5-7-17(11-16)24(27)28/h1,5-9,11-13H,4,10,14H2,2H3/b20-13-InChIKey
SLNVDVZUMZAHGB-MOSHPQCFSA-NSynonyms
(5Z)5((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
(5Z)5(3ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O))OCC#C
CCOc1cc(ccc1OCC#C)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC22H18N2O6Sc131030189815(1219(18)2942)132021(25)23(22(26)3120)141665717(1116)24(27)28h1591113H41014H22H3b2013
MFCD03729719
ZINC000013546600
ZINC13546600
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