Vitas-M small molecule compound
2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Catalog ID
STK043586
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)OC)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 C27H27N3O4S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S2/c1-3-34-19-13-11-18(12-14-19)30-26(32)24-21-9-4-5-10-22(21)36-25(24)29-27(30)35-16-23(31)28-17-7-6-8-20(15-17)33-2/h6-8,11-15H,3-5,9-10,16H2,1-2H3,(H,28,31)InChIKey
GEPNNBSXESGWCU-UHFFFAOYSA-NSynonyms
499125-41-62((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(3methoxyphenyl)acetamide
2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(3methoxyphenyl)acetamide
2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(3methoxyphenyl)acetamide
499125416
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=CC=C4)OC)SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)OC)nc2c(c1=O)c1CCCCc1s2
InChI=1SC27H27N3O4S2c133419131118(121419)3026(32)24219451022(21)3625(24)2927(30)351623(31)281776820(1517)332h681115H3591016H212H3(H2831)
MFCD03224532
STK043586
ZINC000001241092
ZINC01241092
ZINC1241092
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.