Vitas-M small molecule compound

2-[(3,3-dimethylbutanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Catalog ID
STK463641
SMILES O=C(CC(C)(C)C)Nc1sc2c(c1C(=O)N)CCCCC2

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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 C16H24N2O2S MW 308.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N2O2S/c1-16(2,3)9-12(19)18-15-13(14(17)20)10-7-5-4-6-8-11(10)21-15/h4-9H2,1-3H3,(H2,17,20)(H,18,19)
InChIKey
XEPSMTOVGSHGHR-UHFFFAOYSA-N
Synonyms

2((33dimethylbutanoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2(33dimethylbutanoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
CC(C)(C)CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)N
InChI=1SC16H24N2O2Sc116(23)912(19)181513(14(17)20)107546811(10)2115h49H213H3(H21720)(H1819)
MFCD06004680
ZINC000004750275
ZINC04750275
ZINC4750275

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Available files

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