Vitas-M small molecule compound
2-{[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK598987
SMILES CSc1nc(SCC(=O)c2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CCCC1
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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 C19H17N3O3S3 MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S3/c1-26-19-20-17(16-13-4-2-3-5-15(13)28-18(16)21-19)27-10-14(23)11-6-8-12(9-7-11)22(24)25/h6-9H,2-5,10H2,1H3InChIKey
GOWROLDPCJQDPK-UHFFFAOYSA-NSynonyms
879470-20-92((2(methylsulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4yl)sulfanyl)1(4nitrophenyl)ethanone
2((2(methylthio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4yl)thio)1(4nitrophenyl)ethanone
2((2methylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4yl)sulfanyl)1(4nitrophenyl)ethanone
879470209
CSC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CSc1nc(SCC(=O)c2ccc(cc2)(N+)(=O)(O))c2c(n1)sc1c2CCCC1
InChI=1SC19H17N3O3S3c126192017(1613423515(13)2818(16)2119)271014(23)116812(9711)22(24)25h69H2510H21H3
MFCD03678875
ZINC000009013757
ZINC09013757
ZINC9013757
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