Vitas-M small molecule compound

N-(3-chloro-2-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

Catalog ID
STK061678
SMILES Cc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)c1CCCCc1s2

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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 C26H24ClN3O2S2 MW 510.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O2S2/c1-15-10-12-17(13-11-15)30-25(32)23-18-6-3-4-9-21(18)34-24(23)29-26(30)33-14-22(31)28-20-8-5-7-19(27)16(20)2/h5,7-8,10-13H,3-4,6,9,14H2,1-2H3,(H,28,31)
InChIKey
NYJHXTAPQUCYBB-UHFFFAOYSA-N
Synonyms
332947-26-9
332947269
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C(=CC=C4)Cl)C)SC5=C3CCCC5
Cc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)c1CCCCc1s2
InChI=1SC26H24ClN3O2S2c115101217(131115)3025(32)2318634921(18)3424(23)2926(30)331422(31)282085719(27)16(20)2h5781013H346914H212H3(H2831)
MFCD02739485
N(3chloro2methylphenyl)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(3chloro2methylphenyl)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(3chloro2methylphenyl)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
STK061678
ZINC000001766776
ZINC01766776
ZINC1766776

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Available files

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