Vitas-M small molecule compound
4-nitro-N-[2,2,2-trichloro-1-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Catalog ID
STL527473
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)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 C21H20Cl3N5O4S MW 544.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl3N5O4S/c22-21(23,24)19(25-18(31)13-4-6-15(7-5-13)29(32)33)26-20(34)27-9-12-8-14(11-27)16-2-1-3-17(30)28(16)10-12/h1-7,12,14,19H,8-11H2,(H,25,31)(H,26,34)/t12-,14+,19?/m0/s1InChIKey
JZJULXMEXPMZDE-OSHZWXCDSA-NSynonyms
1212454-19-71212454197
16398078
4nitro~(N)(222trichloro1(((1~(R)9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)ethyl)benzamide
4nitroN(222trichloro1((((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)benzamide
4nitroN(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)benzamide
InChI=1SC21H20Cl3N5O4Sc2221(2324)19(2518(31)134615(7513)29(32)33)2620(34)27912814(1127)1621317(30)28(16)1012h17121419H811H2(H2531)(H2634)t1214+19?m0s1
MFCD03660326
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000002140252
ZINC000002140254
Check stock
See real-time availability and sample size for STL527473 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.