Vitas-M small molecule compound
(1S,5S)-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-{[4-(trifluoromethoxy)phenyl]amino}butan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL540265
SMILES CSCC[C@@H](C(=O)Nc1ccc(cc1)OC(F)(F)F)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 C24H27F3N4O4S MW 524.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27F3N4O4S/c1-36-10-9-19(22(33)28-17-5-7-18(8-6-17)35-24(25,26)27)29-23(34)30-12-15-11-16(14-30)20-3-2-4-21(32)31(20)13-15/h2-8,15-16,19H,9-14H2,1H3,(H,28,33)(H,29,34)/t15-,16+,19-/m0/s1InChIKey
LOTPLMLZCOMDJV-FCEWJHQRSA-NSynonyms
(1R5R)N((S)4(methylthio)1oxo1((4(trifluoromethoxy)phenyl)amino)butan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)4(methylsulfanyl)1oxo1((4(trifluoromethoxy)phenyl)amino)butan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CSCC(C@@H)(C(=O)Nc1ccc(cc1)OC(F)(F)F)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC24H27F3N4O4Sc13610919(22(33)28175718(8617)3524(2526)27)2923(34)3012151116(1430)2032421(32)31(20)1315h28151619H914H21H3(H2833)(H2934)t1516+19m0s1
ZINC000002096186
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