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-(4-methoxyphenyl)acetamide
Catalog ID
STK012082
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)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/c1-3-34-20-14-10-18(11-15-20)30-26(32)24-21-6-4-5-7-22(21)36-25(24)29-27(30)35-16-23(31)28-17-8-12-19(33-2)13-9-17/h8-15H,3-7,16H2,1-2H3,(H,28,31)InChIKey
HQJKHVLUBOZUSX-UHFFFAOYSA-NSynonyms
421578-16-72((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4methoxyphenyl)acetamide
2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4methoxyphenyl)acetamide
2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4methoxyphenyl)acetamide
421578167
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)OC)SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OC)nc2c(c1=O)c1CCCCc1s2
InChI=1SC27H27N3O4S2c133420141018(111520)3026(32)2421645722(21)3625(24)2927(30)351623(31)281781219(332)13917h815H3716H212H3(H2831)
MFCD03224513
STK012082
ZINC000001474833
ZINC01474833
ZINC1474833
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