Vitas-M small molecule compound
2-(3-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)-4H-thieno[3,2-d][1,3]thiazin-4-one
Catalog ID
STL145643
SMILES O=C(C1CCCN(C1)c1nc2ccsc2c(=O)s1)N1CCN(CC1)c1ccc(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 C22H23N5O4S2 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S2/c28-20(25-11-9-24(10-12-25)16-3-5-17(6-4-16)27(30)31)15-2-1-8-26(14-15)22-23-18-7-13-32-19(18)21(29)33-22/h3-7,13,15H,1-2,8-12,14H2InChIKey
WQGYWEIANVZBMM-UHFFFAOYSA-NSynonyms
2(3((4(4nitrophenyl)piperazin1yl)carbonyl)piperidin1yl)4Hthieno(32d)(13)thiazin4one
2(3(4(4nitrophenyl)piperazine1carbonyl)piperidin1yl)thieno(32d)(13)thiazin4one
C1CC(CN(C1)C2=NC3=C(C(=O)S2)SC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H23N5O4S2c2820(2511924(101225)163517(6416)27(30)31)1521826(1415)2223187133219(18)21(29)3322h371315H1281214H2
MFCD14726396
O=C(C1CCCN(C1)c1nc2ccsc2c(=O)s1)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000004767850
ZINC000004767852
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