Vitas-M small molecule compound

N-[(2E)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide

Catalog ID
STK936788
SMILES CCCCc1n[nH]/c(=N\C(=O)c2csc(n2)NC2CCCC2)/s1

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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 C15H21N5OS2 MW 351.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21N5OS2/c1-2-3-8-12-19-20-15(23-12)18-13(21)11-9-22-14(17-11)16-10-6-4-5-7-10/h9-10H,2-8H2,1H3,(H,16,17)(H,18,20,21)
InChIKey
FSMVAFASQBHARU-UHFFFAOYSA-N
Synonyms
1232818-11-9
1232818119
CCCCC1=NN=C(S1)NC(=O)C2=CSC(=N2)NC3CCCC3
CCCCc1n(nH)c(=NC(=O)c2csc(n2)NC2CCCC2)s1
InChI=1SC15H21N5OS2c123812192015(2312)1813(21)1192214(1711)1610645710h910H28H21H3(H1617)(H182021)
MFCD18178461
N((2E)5butyl134thiadiazol2(3H)ylidene)2(cyclopentylamino)13thiazole4carboxamide
ZINC000044902187
ZINC44902187

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Available files

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