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-(2-methoxy-5-methylphenyl)acetamide
Catalog ID
STL341797
SMILES COc1ccc(cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)C
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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 C25H25N3O4S2 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S2/c1-15-9-10-19(31-2)18(12-15)26-21(29)14-33-25-27-23-22(17-7-3-4-8-20(17)34-23)24(30)28(25)13-16-6-5-11-32-16/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3,(H,26,29)InChIKey
COLOTLTUOUKLHC-UHFFFAOYSA-NSynonyms
585555-45-92((3(furan2ylmethyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(2methoxy5methylphenyl)acetamide
2((3(furan2ylmethyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(2methoxy5methylphenyl)acetamide
2((3(furan2ylmethyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(2methoxy5methylphenyl)acetamide
585555459
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CO5
InChI=1SC25H25N3O4S2c11591019(312)18(1215)2621(29)143325272322(17734820(17)3423)24(30)28(25)131665113216h56912H34781314H212H3(H2629)
MFCD04030142
ZINC000002391849
ZINC02391849
ZINC2391849
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