Vitas-M small molecule compound

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

Catalog ID
STK418563
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCCC2

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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 C22H25NO3S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO3S/c1-2-26-22(25)20-17-12-8-3-4-9-13-18(17)27-21(20)23-19(24)15-14-16-10-6-5-7-11-16/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3,(H,23,24)/b15-14+
InChIKey
BDMRTTSQNFPVPN-CCEZHUSRSA-N
Synonyms
353790-82-6
353790826
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=CC=CC=C3
CCOC(=O)c1c(NC(=O)C=Cc2ccccc2)sc2c1CCCCCC2
ethyl2(((2E)3phenylprop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2(((E)3phenylprop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC22H25NO3Sc122622(25)20171283491318(17)2721(20)2319(24)151416106571116h5710111415H24891213H21H3(H2324)b1514+
MFCD01835303
ZINC000002085924
ZINC02085924
ZINC2085924

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Available files

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