Vitas-M small molecule compound

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

Catalog ID
STL070952
SMILES COC(=O)/C=C\1/N(c2ccc(cc2)F)C(=S)N(C1=O)c1nc2c(s1)cc(cc2)OC

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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 C20H14FN3O4S2 MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14FN3O4S2/c1-27-13-7-8-14-16(9-13)30-19(22-14)24-18(26)15(10-17(25)28-2)23(20(24)29)12-5-3-11(21)4-6-12/h3-10H,1-2H3/b15-10+
InChIKey
UCIHHJHSASXYSP-XNTDXEJSSA-N
Synonyms
1164496-99-4
(3(4FLUOROPHENYL)1(6METHOXYBENZOTHIAZOL2YL)5OXO2THIOXOIMIDAZOLIDIN(4E)YLIDENE)ACETICACIDMETHYLESTER
(E)methyl2(3(4fluorophenyl)1(6methoxybenzo(d)thiazol2yl)5oxo2thioxoimidazolidin4ylidene)acetate
1164496994
COC(=O)C=C1N(c2ccc(cc2)F)C(=S)N(C1=O)c1nc2c(s1)cc(cc2)OC
COC1=CC2=C(C=C1)N=C(S2)N3C(=O)C(=CC(=O)OC)N(C3=S)C4=CC=C(C=C4)F
InChI=1SC20H14FN3O4S2c12713781416(913)3019(2214)2418(26)15(1017(25)282)23(20(24)29)125311(21)4612h310H12H3b1510+
methyl(2E)(3(4fluorophenyl)1(6methoxy13benzothiazol2yl)5oxo2thioxoimidazolidin4ylidene)ethanoate
METHYL(2E)2(3(4FLUOROPHENYL)1(6METHOXY13BENZOTHIAZOL2YL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)ACETATE
MFCD04179802
ZINC000008644063
ZINC08644063
ZINC8644063

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Available files

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