Vitas-M small molecule compound

N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide

Catalog ID
STL176209
SMILES N#Cc1c(NC(=O)c2ccc(o2)COc2ccc(cc2Cl)Cl)sc2c1CCCCCCCCCC2

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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 C27H28Cl2N2O3S MW 531.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28Cl2N2O3S/c28-18-11-13-23(22(29)15-18)33-17-19-12-14-24(34-19)26(32)31-27-21(16-30)20-9-7-5-3-1-2-4-6-8-10-25(20)35-27/h11-15H,1-10,17H2,(H,31,32)
InChIKey
AGDWVENWSBXPFD-UHFFFAOYSA-N
Synonyms
438235-89-3
438235893
C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)Cl)Cl)C#N
InChI=1SC27H28Cl2N2O3Sc2818111323(22(29)1518)331719121424(3419)26(32)312721(1630)209753124681025(20)3527h1115H11017H2(H3132)
MFCD03467934
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)5((24dichlorophenoxy)methyl)furan2carboxamide
ZINC000002112399
ZINC02112399
ZINC2112399

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Available files

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