Vitas-M small molecule compound
4-chloro-N-[2,2,2-trichloro-1-({[(1S,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
STL527447
SMILES Clc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C21H20Cl4N4O2S MW 534.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl4N4O2S/c22-15-6-4-13(5-7-15)18(31)26-19(21(23,24)25)27-20(32)28-9-12-8-14(11-28)16-2-1-3-17(30)29(16)10-12/h1-7,12,14,19H,8-11H2,(H,26,31)(H,27,32)/t12-,14+,19?/m0/s1InChIKey
HEXYBRJMLVMRGX-OSHZWXCDSA-NSynonyms
4chloroN(222trichloro1((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)benzamide
4chloroN(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)benzamide
Clc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H20Cl4N4O2Sc22156413(5715)18(31)2619(21(2324)25)2720(32)28912814(1128)1621317(30)29(16)1012h17121419H811H2(H2631)(H2732)t1214+19?m0s1
MFCD03660333
ZINC000002140263
ZINC000002140265
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