Vitas-M small molecule compound
2-{[3-(furan-2-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Catalog ID
STL342076
SMILES O=C(Nc1ccc(cc1)Oc1ccccc1)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3
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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 C29H25N3O4S2 MW 543.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4S2/c33-25(30-19-12-14-21(15-13-19)36-20-7-2-1-3-8-20)18-37-29-31-27-26(23-10-4-5-11-24(23)38-27)28(34)32(29)17-22-9-6-16-35-22/h1-3,6-9,12-16H,4-5,10-11,17-18H2,(H,30,33)InChIKey
VDHSJENWNPYDJN-UHFFFAOYSA-NSynonyms
587008-07-92((3(furan2ylmethyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4phenoxyphenyl)acetamide
2((3(furan2ylmethyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4phenoxyphenyl)acetamide
2((3(furan2ylmethyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4phenoxyphenyl)acetamide
587008079
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6
InChI=1SC29H25N3O4S2c3325(3019121421(151319)36207213820)183729312726(2310451124(23)3827)28(34)32(29)172296163522h13691216H4510111718H2(H3033)
MFCD04032363
ZINC000002395765
ZINC2395765
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