Vitas-M small molecule compound
(1S,5S)-N-[(2S)-1-[(3,5-dimethoxyphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL538061
SMILES CSCC[C@@H](C(=O)Nc1cc(OC)cc(c1)OC)NC(=O)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 C25H32N4O5S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O5S/c1-33-19-10-18(11-20(12-19)34-2)26-24(31)21(7-8-35-3)27-25(32)28-13-16-9-17(15-28)22-5-4-6-23(30)29(22)14-16/h4-6,10-12,16-17,21H,7-9,13-15H2,1-3H3,(H,26,31)(H,27,32)/t16-,17+,21-/m0/s1InChIKey
KDERFFSXHGPMLQ-FVJLSDCUSA-NSynonyms
(1R5R)N((S)1((35dimethoxyphenyl)amino)4(methylthio)1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((35dimethoxyphenyl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CSCC(C@@H)(C(=O)Nc1cc(OC)cc(c1)OC)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H32N4O5Sc133191018(1120(1219)342)2624(31)21(78353)2725(32)281316917(1528)2254623(30)29(22)1416h461012161721H791315H213H3(H2631)(H2732)t1617+21m0s1
ZINC000002094118
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