Vitas-M small molecule compound
(1S,5S)-N-[(2S)-1-[(4-methylbenzyl)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
STL536647
SMILES CSCC[C@@H](C(=O)NCc1ccc(cc1)C)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 C25H32N4O3S MW 468.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O3S/c1-17-6-8-18(9-7-17)13-26-24(31)21(10-11-33-2)27-25(32)28-14-19-12-20(16-28)22-4-3-5-23(30)29(22)15-19/h3-9,19-21H,10-16H2,1-2H3,(H,26,31)(H,27,32)/t19-,20+,21-/m0/s1InChIKey
AQZOYBCFMJQFTG-HBMCJLEFSA-NSynonyms
(1R5R)N((S)1((4methylbenzyl)amino)4(methylthio)1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((4methylbenzyl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CSCC(C@@H)(C(=O)NCc1ccc(cc1)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H32N4O3Sc1176818(9717)132624(31)21(1011332)2725(32)2814191220(1628)2243523(30)29(22)1519h391921H1016H212H3(H2631)(H2732)t1920+21m0s1
ZINC000002094492
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