Vitas-M small molecule compound
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]cyclopropanecarboxamide
Catalog ID
STL527553
SMILES ClC(=CC1C(C1(C)C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cl
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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 C22H25Cl5N4O2S MW 586.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25Cl5N4O2S/c1-21(2)13(7-15(23)24)17(21)18(33)28-19(22(25,26)27)29-20(34)30-8-11-6-12(10-30)14-4-3-5-16(32)31(14)9-11/h3-5,7,11-13,17,19H,6,8-10H2,1-2H3,(H,28,33)(H,29,34)/t11-,12-,13?,17?,19?/m0/s1InChIKey
DRALDEYSNGRUOW-YUCBOKJPSA-NSynonyms
3(22dichloroethenyl)22dimethylN(222trichloro1((((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)cyclopropanecarboxamide
3(22dichlorovinyl)22dimethylN(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)cyclopropanecarboxamide
ClC(=CC1C(C1(C)C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cl
InChI=1SC22H25Cl5N4O2Sc121(2)13(715(23)24)17(21)18(33)2819(22(2526)27)2920(34)30811612(1030)1443516(32)31(14)911h35711131719H6810H212H3(H2833)(H2934)t111213?17?19?m0s1
MFCD03660262
ZINC000070673172
ZINC000072332837
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