Vitas-M small molecule compound
7-methyl-2-[5-(3-nitrophenyl)furan-2-yl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382557
SMILES CC1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(o1)c1cccc(c1)[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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-11-5-6-14-17(9-11)29-21-18(14)20(25)22-19(23-21)16-8-7-15(28-16)12-3-2-4-13(10-12)24(26)27/h2-4,7-8,10-11,19,23H,5-6,9H2,1H3,(H,22,25)InChIKey
YBZUEVNADLWZBZ-UHFFFAOYSA-NSynonyms
7methyl2(5(3nitrophenyl)furan2yl)235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
7methyl2(5(3nitrophenyl)furan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O)
CC1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(o1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H19N3O4Sc111561417(911)292118(14)20(25)2219(2321)168715(2816)1232413(1012)24(26)27h247810111923H569H21H3(H2225)
MFCD11853218
ZINC000004545093
ZINC000004545096
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