Vitas-M small molecule compound

2-(4-chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK385647
SMILES Clc1ccc(cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

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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 C16H13ClN2OS MW 316.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2OS/c17-10-7-5-9(6-8-10)14-18-15(20)13-11-3-1-2-4-12(11)21-16(13)19-14/h5-8H,1-4H2,(H,18,19,20)
InChIKey
JANUPDZTKCXNTJ-UHFFFAOYSA-N
Synonyms
60442-58-2
2(4chlorophenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4chlorophenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
60442582
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC16H13ClN2OSc1710759(6810)141815(20)1311312412(11)2116(13)1914h58H14H2(H181920)
MFCD00414320
ZINC08854790
ZINC8854790

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Available files

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