Vitas-M small molecule compound
(5Z)-3-benzyl-5-{3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK087651
SMILES COc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])/C=C/1\SC(=S)N(C1=O)Cc1ccccc1
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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 C26H22N2O6S2 MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O6S2/c1-32-23-15-19(16-24-25(29)27(26(35)36-24)17-18-5-3-2-4-6-18)7-12-22(23)34-14-13-33-21-10-8-20(9-11-21)28(30)31/h2-12,15-16H,13-14,17H2,1H3/b24-16-InChIKey
KCXWQSUEDUHTCV-JLPGSUDCSA-NSynonyms
(5Z)3BENZYL5((3METHOXY4(2(4NITROPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3BENZYL5(3METHOXY4(2(4NITROPHENOXY)ETHOXY)BENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OCCOC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1OCCOc1ccc(cc1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC26H22N2O6S2c132231519(162425(29)27(26(35)3624)17185324618)71222(23)341413332110820(91121)28(30)31h2121516H131417H21H3b2416
MFCD02109275
STK087651
ZINC000100268879
ZINC100268879
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