Vitas-M small molecule compound

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide

Catalog ID
STK818758
SMILES NC(=O)c1c(sc2c1CCCC2)NC(=O)c1oc2c(c1C)cc(c(c2)C)C

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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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-10-8-14-12(3)18(26-15(14)9-11(10)2)20(25)23-21-17(19(22)24)13-6-4-5-7-16(13)27-21/h8-9H,4-7H2,1-3H3,(H2,22,24)(H,23,25)
InChIKey
GWCUOLNSROJGDU-UHFFFAOYSA-N
Synonyms
622349-53-5
622349535
CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C)C
InChI=1SC21H22N2O3Sc11081412(3)18(2615(14)911(10)2)20(25)232117(19(22)24)13645716(13)2721h89H47H213H3(H22224)(H2325)
MFCD04448038
N(3carbamoyl4567tetrahydro1benzothiophen2yl)356trimethyl1benzofuran2carboxamide
ZINC000001111556
ZINC01111556
ZINC1111556

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Available files

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