Vitas-M small molecule compound
3-(2-methylpropyl)-2-(4-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Catalog ID
STK593856
SMILES CC(Cn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)c1ccc(cc1)[N+](=O)[O-])C
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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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-12(2)11-23-19(13-7-9-14(10-8-13)24(27)28)22-20-17(21(23)26)18(25)15-5-3-4-6-16(15)29-20/h3-10,12H,11H2,1-2H3InChIKey
ZZQDXFUAXSZOLJ-UHFFFAOYSA-NSynonyms
879457-91-73(2methylpropyl)2(4nitrophenyl)4Hthiochromeno(23d)pyrimidine45(3H)dione
3(2METHYLPROPYL)2(4NITROPHENYL)THIOCHROMENO(23D)PYRIMIDINE45DIONE
3isobutyl2(4nitrophenyl)3Hthiochromeno(23d)pyrimidine45dione
879457917
CC(C)CN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)(N+)(=O)(O)
CC(Cn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC21H17N3O4Sc112(2)112319(137914(10813)24(27)28)222017(21(23)26)18(25)15534616(15)2920h31012H11H212H3
MFCD06596494
ZINC000002204629
ZINC02204629
ZINC2204629
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