Vitas-M small molecule compound
2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK759749
SMILES [O-][N+](=O)c1ccc2c(c1)[nH]cc2CSc1nc2sc3c(c2c(=O)n1c1ccccc1)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 C25H20N4O3S2 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O3S2/c30-24-22-19-8-4-5-9-21(19)34-23(22)27-25(28(24)16-6-2-1-3-7-16)33-14-15-13-26-20-12-17(29(31)32)10-11-18(15)20/h1-3,6-7,10-13,26H,4-5,8-9,14H2InChIKey
PVTCWRGSCMYAKJ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)(nH)cc2CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3
2(((6nitro1Hindol3yl)methyl)sulfanyl)3phenyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((6nitro1Hindol3yl)methylsulfanyl)3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC5=CNC6=C5C=CC(=C6)(N+)(=O)(O)
InChI=1SC25H20N4O3S2c30242219845921(19)3423(22)2725(28(24)166213716)3314151326201217(29(31)32)101118(15)20h1367101326H458914H2
MFCD01429427
ZINC000002189936
ZINC02189936
ZINC2189936
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