Vitas-M small molecule compound
2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
Catalog ID
STK760261
SMILES O=c1n2CCCCCc2nc2c1sc(c2)c1ccc(cc1)[N+](=O)[O-]
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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 C17H15N3O3S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S/c21-17-16-13(18-15-4-2-1-3-9-19(15)17)10-14(24-16)11-5-7-12(8-6-11)20(22)23/h5-8,10H,1-4,9H2InChIKey
QNPSCYJECJQBII-UHFFFAOYSA-NSynonyms
312529-71-82(4NITROPHENYL)10HYDRO5H6H7H8H9HAZAPERHYDROEPINO(12A)THIOPHENO(32D)PYRIMIDIN11ONE
2(4nitrophenyl)6789tetrahydro5Hthieno(12)pyrimido(45a)azepin11one
2(4nitrophenyl)6789tetrahydrothieno(3245)pyrimido(12a)azepin11(5H)one
312529718
C1CCC2=NC3=C(C(=O)N2CC1)SC(=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC17H15N3O3Sc21171613(18154213919(15)17)1014(2416)115712(8611)20(22)23h5810H149H2
MFCD01419294
O=c1n2CCCCCc2nc2c1sc(c2)c1ccc(cc1)(N+)(=O)(O)
ZINC000000033375
ZINC00033375
ZINC33375
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