Vitas-M small molecule compound
2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Catalog ID
STK041999
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc(N)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 C18H16N4O3S2 MW 400.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3S2/c19-16-15-12-3-1-2-4-14(12)27-17(15)21-18(20-16)26-9-13(23)10-5-7-11(8-6-10)22(24)25/h5-8H,1-4,9H2,(H2,19,20,21)InChIKey
OTHZIVHPSLINBP-UHFFFAOYSA-NSynonyms
370074-73-02((4amino5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)1(4nitrophenyl)ethanone
2((4amino5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)1(4nitrophenyl)ethanone
2((4amino5678tetrahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)1(4nitrophenyl)ethanone
370074730
C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC(=O)C4=CC=C(C=C4)(N+)(=O)(O))N
InChI=1SC18H16N4O3S2c19161512312414(12)2717(15)2118(2016)26913(23)105711(8610)22(24)25h58H149H2(H2192021)
MFCD01556628
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nc(N)c2c(n1)sc1c2CCCC1
STK041999
ZINC000002346366
ZINC02346366
ZINC2346366
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