Vitas-M small molecule compound
(1'R,6'R,E)-7-chloro-4,6-dimethoxy-6'-methyl-3'-(1-(((2S,3S)-3-methyl-1-oxo-1-((1S,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentan-2-yl)amino)ethylidene)-3H-spiro[benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL561990
SMILES CCC([C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N/C(=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)/C)C
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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 C35H40ClN3O8 MW 666.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40ClN3O8/c1-7-17(2)30(34(44)38-14-20-12-21(16-38)22-9-8-10-26(41)39(22)15-20)37-19(4)27-23(40)11-18(3)35(32(27)42)33(43)28-24(45-5)13-25(46-6)29(36)31(28)47-35/h8-10,13,17-18,20-21,30,37H,7,11-12,14-16H2,1-6H3/b27-19+/t17?,18-,20-,21+,30+,35+InChIKey
RTYYALHJWQSNRV-IRDGJDRJSA-NSynonyms
(1R6RE)7chloro46dimethoxy6methyl3(1(((2S3S)3methyl1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)pentan2yl)amino)ethylidene)3Hspiro(benzofuran21cyclohexane)234trione
CCC((C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=C1C(=O)C(C@H)((C@@)2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)C)C
MFCD32651045
ZINC001848443439
ZINC001848443440
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