Vitas-M small molecule compound

N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Catalog ID
STL397576
SMILES Cn1nc(cc1C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)C(F)(F)F

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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 C16H17F3N4O2S MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N4O2S/c1-23-9(7-11(22-23)16(17,18)19)14(25)21-15-12(13(20)24)8-5-3-2-4-6-10(8)26-15/h7H,2-6H2,1H3,(H2,20,24)(H,21,25)
InChIKey
XQMGUSNUAPBFOJ-UHFFFAOYSA-N
Synonyms
1005642-69-2
1005642692
CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N
InChI=1SC16H17F3N4O2Sc1239(711(2223)16(1718)19)14(25)211512(13(20)24)85324610(8)2615h7H26H21H3(H22024)(H2125)
MFCD04048756
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)1methyl3(trifluoromethyl)1Hpyrazole5carboxamide
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)2methyl5(trifluoromethyl)pyrazole3carboxamide
ZINC000002743717
ZINC02743717
ZINC2743717

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Available files

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