Vitas-M small molecule compound

ethyl 2-[(2E)-1-(chloroacetyl)-2-(3,4,5-trimethoxybenzylidene)hydrazinyl]-1,3-thiazole-4-carboxylate

Catalog ID
STL440296
SMILES CCOC(=O)c1csc(n1)N(C(=O)CCl)/N=C/c1cc(OC)c(c(c1)OC)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 C18H20ClN3O6S MW 441.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O6S/c1-5-28-17(24)12-10-29-18(21-12)22(15(23)8-19)20-9-11-6-13(25-2)16(27-4)14(7-11)26-3/h6-7,9-10H,5,8H2,1-4H3/b20-9+
InChIKey
GDYYEFZLCLDOAW-AWQFTUOYSA-N
Synonyms

CCOC(=O)C1=CSC(=N1)N(C(=O)CCl)N=CC2=CC(=C(C(=C2)OC)OC)OC
CCOC(=O)c1csc(n1)N(C(=O)CCl)N=Cc1cc(OC)c(c(c1)OC)OC
ethyl2((2chloroacetyl)((E)(345trimethoxyphenyl)methylideneamino)amino)13thiazole4carboxylate
ethyl2((2E)1(chloroacetyl)2(345trimethoxybenzylidene)hydrazinyl)13thiazole4carboxylate
InChI=1SC18H20ClN3O6Sc152817(24)12102918(2112)22(15(23)819)20911613(252)16(274)14(711)263h67910H58H214H3b209+
MFCD06241461
ZINC000008755059
ZINC101383680

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Available files

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