Vitas-M small molecule compound

N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenylquinoline-4-carboxamide

Catalog ID
STK418836
SMILES NC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1cc(nc2c1cccc2)c1ccccc1

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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 C27H25N3O2S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2S/c28-25(31)24-19-13-6-1-2-7-15-23(19)33-27(24)30-26(32)20-16-22(17-10-4-3-5-11-17)29-21-14-9-8-12-18(20)21/h3-5,8-12,14,16H,1-2,6-7,13,15H2,(H2,28,31)(H,30,32)
InChIKey
RJTSWCGQVFCXQH-UHFFFAOYSA-N
Synonyms

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)N
InChI=1SC27H25N3O2Sc2825(31)24191361271523(19)3327(24)3026(32)201622(17104351117)292114981218(20)21h358121416H12671315H2(H22831)(H3032)
MFCD01350057
N(3carbamoyl456789hexahydrocycloocta(b)thiophen2yl)2phenylquinoline4carboxamide
ZINC000002095458
ZINC02095458
ZINC2095458

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Available files

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