Vitas-M small molecule compound
(5Z)-3-(3-nitrobenzyl)-5-[4-(propan-2-yl)benzylidene]-1,3-thiazolidine-2,4-dione
Catalog ID
STK157147
SMILES O=C1S/C(=C\c2ccc(cc2)C(C)C)/C(=O)N1Cc1cccc(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 C20H18N2O4S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4S/c1-13(2)16-8-6-14(7-9-16)11-18-19(23)21(20(24)27-18)12-15-4-3-5-17(10-15)22(25)26/h3-11,13H,12H2,1-2H3/b18-11-InChIKey
NCSOFCYZRMMGCF-WQRHYEAKSA-NSynonyms
(5Z)3((3NITROPHENYL)METHYL)5((4PROPAN2YLPHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5Z)3(3NITROBENZYL)5(4(PROPAN2YL)BENZYLIDENE)13THIAZOLIDINE24DIONE
CC(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H18N2O4Sc113(2)168614(7916)111819(23)21(20(24)2718)121543517(1015)22(25)26h31113H12H212H3b1811
MFCD03226882
O=C1SC(=Cc2ccc(cc2)C(C)C)C(=O)N1Cc1cccc(c1)(N+)(=O)(O)
ZINC000013546505
ZINC13546505
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