Vitas-M small molecule compound
3-(3-chlorophenyl)-1-(4-nitrobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Catalog ID
STK557519
SMILES Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)Cc1ccc(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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c23-14-3-1-4-16(11-14)25-20(27)19-17-5-2-6-18(17)31-21(19)24(22(25)28)12-13-7-9-15(10-8-13)26(29)30/h1,3-4,7-11H,2,5-6,12H2InChIKey
GOEBJWXMTNUEDG-UHFFFAOYSA-NSynonyms
575465-58-62(3chlorophenyl)4((4nitrophenyl)methyl)78dihydro6Hcyclopenta(23)thieno(24b)pyrimidine13dione
3(3chlorophenyl)1(4nitrobenzyl)1567tetrahydro2Hcyclopenta(45)thieno(23d)pyrimidine24(3H)dione
3(3chlorophenyl)1(4nitrobenzyl)67dihydro1Hcyclopenta(45)thieno(23d)pyrimidine24(3H5H)dione
575465586
C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=C(C=C4)(N+)(=O)(O))C5=CC(=CC=C5)Cl
Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H16ClN3O4Sc231431416(1114)2520(27)191752618(17)3121(19)24(22(25)28)12137915(10813)26(29)30h134711H25612H2
MFCD04025962
ZINC000013749332
ZINC13749332
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