Vitas-M small molecule compound

3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

Catalog ID
STK555795
SMILES Clc1cccc(c1)n1c(=O)n(Cc2ccc(cc2)[N+](=O)[O-])c2c(c1=O)c1CCCCc1s2

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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 C23H18ClN3O4S MW 467.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O4S/c24-15-4-3-5-17(12-15)26-21(28)20-18-6-1-2-7-19(18)32-22(20)25(23(26)29)13-14-8-10-16(11-9-14)27(30)31/h3-5,8-12H,1-2,6-7,13H2
InChIKey
KTGZZEPSDRJUOX-UHFFFAOYSA-N
Synonyms
674306-89-9
3(3chlorophenyl)1((4nitrophenyl)methyl)5678tetrahydro(1)benzothiolo(23d)pyrimidine24dione
3(3chlorophenyl)1(4nitrobenzyl)5678tetrahydro(1)benzothieno(23d)pyrimidine24(1H3H)dione
3(3chlorophenyl)1(4nitrobenzyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidine24(1H3H)dione
674306899
C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)CC5=CC=C(C=C5)(N+)(=O)(O)
Clc1cccc(c1)n1c(=O)n(Cc2ccc(cc2)(N+)(=O)(O))c2c(c1=O)c1CCCCc1s2
InChI=1SC23H18ClN3O4Sc241543517(1215)2621(28)2018612719(18)3222(20)25(23(26)29)131481016(11914)27(30)31h35812H126713H2
MFCD04013667
ZINC000001864412
ZINC01864412
ZINC1864412

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Available files

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