Vitas-M small molecule compound

methyl (2E)-2-{3-chloro-5-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]benzylidene}hydrazinecarboxylate

Catalog ID
STK090520
SMILES CCOc1cc(/C=N/NC(=O)OC)cc(c1OCCCOc1cccc(c1)OC)Cl

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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 C21H25ClN2O6 MW 436.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O6/c1-4-28-19-12-15(14-23-24-21(25)27-3)11-18(22)20(19)30-10-6-9-29-17-8-5-7-16(13-17)26-2/h5,7-8,11-14H,4,6,9-10H2,1-3H3,(H,24,25)/b23-14+
InChIKey
YRCKEAFDJALTID-OEAKJJBVSA-N
Synonyms

CCOC1=C(C(=CC(=C1)C=NNC(=O)OC)Cl)OCCCOC2=CC=CC(=C2)OC
CCOc1cc(C=NNC(=O)OC)cc(c1OCCCOc1cccc(c1)OC)Cl
InChI=1SC21H25ClN2O6c1428191215(14232421(25)273)1118(22)20(19)301069291785716(1317)262h5781114H46910H213H3(H2425)b2314+
METHYL(2E)2(3CHLORO5ETHOXY4(3(3METHOXYPHENOXY)PROPOXY)BENZYLIDENE)HYDRAZINECARBOXYLATE
methylN((E)(3chloro5ethoxy4(3(3methoxyphenoxy)propoxy)phenyl)methylideneamino)carbamate
MFCD05976319
STK090520
ZINC000009730974
ZINC33708168

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Available files

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