Vitas-M small molecule compound

methyl (2E)-[3-(4-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]ethanoate

Catalog ID
STK202935
SMILES COC(=O)/C=C\1/N(c2ccc(cc2)F)C(=S)N(C1=O)c1nc2c(s1)cc(cc2)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 C20H14FN3O3S2 MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14FN3O3S2/c1-11-3-8-14-16(9-11)29-19(22-14)24-18(26)15(10-17(25)27-2)23(20(24)28)13-6-4-12(21)5-7-13/h3-10H,1-2H3/b15-10+
InChIKey
AEYKDWUSAJMWGK-XNTDXEJSSA-N
Synonyms
827002-01-7
(E)methyl2(3(4fluorophenyl)1(6methylbenzo(d)thiazol2yl)5oxo2thioxoimidazolidin4ylidene)acetate
827002017
CC1=CC2=C(C=C1)N=C(S2)N3C(=O)C(=CC(=O)OC)N(C3=S)C4=CC=C(C=C4)F
COC(=O)C=C1N(c2ccc(cc2)F)C(=S)N(C1=O)c1nc2c(s1)cc(cc2)C
InChI=1SC20H14FN3O3S2c111381416(911)2919(2214)2418(26)15(1017(25)272)23(20(24)28)136412(21)5713h310H12H3b1510+
METHYL(2E)(3(4FLUOROPHENYL)1(6METHYL13BENZOTHIAZOL2YL)5OXO2THIOXOIMIDAZOLIDIN4YLIDENE)ETHANOATE
METHYL(2E)2(3(4FLUOROPHENYL)1(6METHYL13BENZOTHIAZOL2YL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)ACETATE
METHYL2(3(4FLUOROPHENYL)1(6METHYLBENZOTHIAZOL2YL)5OXO2THIOXO13DIAZOLIDIN4YLIDENE)ACETATE
MFCD04177501
ZINC000009157967
ZINC09157967
ZINC9157967

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.