Vitas-M small molecule compound
(1S,5S)-N-[(2S)-1-[(3-methylphenyl)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
STL536661
SMILES CSCC[C@@H](C(=O)Nc1cccc(c1)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 C24H30N4O3S MW 454.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O3S/c1-16-5-3-6-19(11-16)25-23(30)20(9-10-32-2)26-24(31)27-13-17-12-18(15-27)21-7-4-8-22(29)28(21)14-17/h3-8,11,17-18,20H,9-10,12-15H2,1-2H3,(H,25,30)(H,26,31)/t17-,18+,20-/m0/s1InChIKey
WRHIPTMEZUIPTO-NSHGMRRFSA-NSynonyms
(1R5R)N((S)4(methylthio)1oxo1(mtolylamino)butan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((3methylphenyl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CSCC(C@@H)(C(=O)Nc1cccc(c1)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC24H30N4O3Sc11653619(1116)2523(30)20(910322)2624(31)2713171218(1527)2174822(29)28(21)1417h3811171820H9101215H212H3(H2530)(H2631)t1718+20m0s1
ZINC000002095337
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