Vitas-M small molecule compound
N-(4-nitrophenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Catalog ID
STL297424
SMILES O=C(Cn1cnc2c(c1=O)c1CCCCc1s2)Nc1ccc(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 C18H16N4O4S MW 384.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S/c23-15(20-11-5-7-12(8-6-11)22(25)26)9-21-10-19-17-16(18(21)24)13-3-1-2-4-14(13)27-17/h5-8,10H,1-4,9H2,(H,20,23)InChIKey
YKIDEZUEQMQDOE-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC18H16N4O4Sc2315(20115712(8611)22(25)26)92110191716(18(21)24)13312414(13)2717h5810H149H2(H2023)
MFCD05801436
N(4nitrophenyl)2(4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)acetamide
N(4nitrophenyl)2(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)acetamide
O=C(Cn1cnc2c(c1=O)c1CCCCc1s2)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000005027800
ZINC05027800
ZINC5027800
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