Vitas-M small molecule compound

6-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK431663
SMILES O=C(c1csc2c1CCC(C2)C(C)(C)C)Nc1nnc(s1)C1CC1

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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 C18H23N3OS2 MW 361.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3OS2/c1-18(2,3)11-6-7-12-13(9-23-14(12)8-11)15(22)19-17-21-20-16(24-17)10-4-5-10/h9-11H,4-8H2,1-3H3,(H,19,21,22)
InChIKey
CXPNNXBQEUTVCA-UHFFFAOYSA-N
Synonyms

6tertbutylN(5cyclopropyl134thiadiazol2yl)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NC3=NN=C(S3)C4CC4
InChI=1SC18H23N3OS2c118(23)11671213(92314(12)811)15(22)1917212016(2417)104510h911H48H213H3(H192122)
MFCD03074978
ZINC000002754945
ZINC000002754946

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Available files

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