Vitas-M small molecule compound

ethyl 2-{[(2,5-dichlorophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK427820
SMILES CCOC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1cc(Cl)ccc1Cl

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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 C20H21Cl2NO3S MW 426.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2NO3S/c1-2-26-20(25)17-13-7-5-3-4-6-8-16(13)27-19(17)23-18(24)14-11-12(21)9-10-15(14)22/h9-11H,2-8H2,1H3,(H,23,24)
InChIKey
HZNAUVMWPHYZGK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=C(C=CC(=C3)Cl)Cl
ethyl2(((25dichlorophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((25dichlorobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H21Cl2NO3Sc122620(25)171375346816(13)2719(17)2318(24)141112(21)91015(14)22h911H28H21H3(H2324)
MFCD03364039
ZINC000002746554
ZINC02746554
ZINC2746554

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Available files

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