Vitas-M small molecule compound

methyl [(5Z)-5-{3-chloro-4-[(3-nitrobenzyl)oxy]benzylidene}-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl]acetate

Catalog ID
STL369399
SMILES COC(=O)CN1C(=S)N(C(=O)/C/1=C/c1ccc(c(c1)Cl)OCc1cccc(c1)[N+](=O)[O-])C

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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 C21H18ClN3O6S MW 475.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O6S/c1-23-20(27)17(24(21(23)32)11-19(26)30-2)10-13-6-7-18(16(22)9-13)31-12-14-4-3-5-15(8-14)25(28)29/h3-10H,11-12H2,1-2H3/b17-10-
InChIKey
ADLLNIAEHWWKAT-YVLHZVERSA-N
Synonyms

CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)(N+)(=O)(O))Cl)N(C1=S)CC(=O)OC
COC(=O)CN1C(=S)N(C(=O)C1=Cc1ccc(c(c1)Cl)OCc1cccc(c1)(N+)(=O)(O))C
InChI=1SC21H18ClN3O6Sc12320(27)17(24(21(23)32)1119(26)302)10136718(16(22)913)31121443515(814)25(28)29h310H1112H212H3b1710
methyl((5Z)5(3chloro4((3nitrobenzyl)oxy)benzylidene)3methyl4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)5((3CHLORO4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3METHYL4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD03721834
ZINC000032122936
ZINC32122936

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Available files

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