Vitas-M small molecule compound
N-(3,4-difluorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK023041
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)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 C25H21F2N3O3S2 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F2N3O3S2/c1-33-16-9-7-15(8-10-16)30-24(32)22-17-4-2-3-5-20(17)35-23(22)29-25(30)34-13-21(31)28-14-6-11-18(26)19(27)12-14/h6-12H,2-5,13H2,1H3,(H,28,31)InChIKey
GOIKCMNJROBWAF-UHFFFAOYSA-NSynonyms
477329-19-4477329194
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)F)F)SC5=C3CCCC5
COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nc2c(c1=O)c1CCCCc1s2
InChI=1SC25H21F2N3O3S2c133169715(81016)3024(32)2217423520(17)3523(22)2925(30)341321(31)281461118(26)19(27)1214h612H2513H21H3(H2831)
MFCD03223512
N(34difluorophenyl)2((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(34difluorophenyl)2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(34difluorophenyl)2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
STK023041
ZINC000001794061
ZINC01794061
ZINC1794061
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.