Vitas-M small molecule compound

2-{[(3,4-diethoxyphenyl)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Catalog ID
STK768584
SMILES CCOc1cc(ccc1OCC)CC(=O)Nc1sc2c(c1C(=O)N)CCCCCC2

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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 C23H30N2O4S MW 430.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O4S/c1-3-28-17-12-11-15(13-18(17)29-4-2)14-20(26)25-23-21(22(24)27)16-9-7-5-6-8-10-19(16)30-23/h11-13H,3-10,14H2,1-2H3,(H2,24,27)(H,25,26)
InChIKey
WHJSLCAGDZIWJP-UHFFFAOYSA-N
Synonyms

2(((34diethoxyphenyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2((2(34diethoxyphenyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N)OCC
InChI=1SC23H30N2O4Sc132817121115(1318(17)2942)1420(26)252321(22(24)27)16975681019(16)3023h1113H31014H212H3(H22427)(H2526)
MFCD03308398
ZINC000003619562
ZINC03619562
ZINC3619562

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Available files

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