Vitas-M small molecule compound
(1S,5S)-N-[(2S)-1-[(4-butoxyphenyl)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
STL538029
SMILES CCCCOc1ccc(cc1)NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCSC
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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 C27H36N4O4S MW 512.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O4S/c1-3-4-13-35-22-10-8-21(9-11-22)28-26(33)23(12-14-36-2)29-27(34)30-16-19-15-20(18-30)24-6-5-7-25(32)31(24)17-19/h5-11,19-20,23H,3-4,12-18H2,1-2H3,(H,28,33)(H,29,34)/t19-,20+,23-/m0/s1InChIKey
SQYIAIOWZXIXEK-MZKRTTBSSA-NSynonyms
(1R5R)N((S)1((4butoxyphenyl)amino)4(methylthio)1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((4butoxyphenyl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CCCCOc1ccc(cc1)NC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CCSC
InChI=1SC27H36N4O4Sc13413352210821(91122)2826(33)23(1214362)2927(34)3016191520(1830)2465725(32)31(24)1719h511192023H341218H212H3(H2833)(H2934)t1920+23m0s1
ZINC000009033961
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