Vitas-M small molecule compound

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

Catalog ID
STK003187
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)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 C26H25N3O3S2 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S2/c1-16-7-3-5-9-20(16)27-22(30)15-33-26-28-24-23(19-8-4-6-10-21(19)34-24)25(31)29(26)17-11-13-18(32-2)14-12-17/h3,5,7,9,11-14H,4,6,8,10,15H2,1-2H3,(H,27,30)
InChIKey
LPZNDXQZYGYHKE-UHFFFAOYSA-N
Synonyms
476485-66-2
2((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(2methylphenyl)acetamide
2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(otolyl)acetamide
2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(2methylphenyl)acetamide
476485662
CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC
COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC26H25N3O3S2c116735920(16)2722(30)153326282423(198461021(19)3424)25(31)29(26)17111318(322)141217h35791114H4681015H212H3(H2730)
MFCD03223561
STK003187
ZINC000001239235
ZINC01239235
ZINC1239235

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Available files

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