Vitas-M small molecule compound

5-chloro-N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide

Catalog ID
STK516277
SMILES CCOc1ccc2c(c1)nc(s2)NC(=O)c1nc(SC)ncc1Cl

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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 C15H13ClN4O2S2 MW 380.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClN4O2S2/c1-3-22-8-4-5-11-10(6-8)18-15(24-11)20-13(21)12-9(16)7-17-14(19-12)23-2/h4-7H,3H2,1-2H3,(H,18,20,21)
InChIKey
WHTCCLGFGXCFPK-UHFFFAOYSA-N
Synonyms
879942-16-2
5chloroN(5ethoxy13benzothiazol2yl)2(methylsulfanyl)pyrimidine4carboxamide
5chloroN(5ethoxy13benzothiazol2yl)2methylsulfanylpyrimidine4carboxamide
879942162
CCOC1=CC2=C(C=C1)SC(=N2)NC(=O)C3=NC(=NC=C3Cl)SC
InChI=1SC15H13ClN4O2S2c13228451110(68)1815(2411)2013(21)129(16)71714(1912)232h47H3H212H3(H182021)
MFCD06645590
ZINC000016742279
ZINC16742279

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Available files

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