Vitas-M small molecule compound

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

Catalog ID
STK424370
SMILES CCCCOc1ccc(cc1)C(=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 C22H28N2O3S MW 400.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O3S/c1-2-3-14-27-16-12-10-15(11-13-16)21(26)24-22-19(20(23)25)17-8-6-4-5-7-9-18(17)28-22/h10-13H,2-9,14H2,1H3,(H2,23,25)(H,24,26)
InChIKey
NLVLWHAOTJTPLC-UHFFFAOYSA-N
Synonyms

2(((4butoxyphenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2((4butoxybenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N
InChI=1SC22H28N2O3Sc123142716121015(111316)21(26)242219(20(23)25)1786457918(17)2822h1013H2914H21H3(H22325)(H2426)
MFCD01921997
ZINC000002750553
ZINC02750553
ZINC2750553

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Available files

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