Vitas-M small molecule compound
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}pentanamide
Catalog ID
STL578939
SMILES O=C(CCCCC1SC[C@H]2[C@@H]1NC(=O)N2)NCCN1C[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 C23H33N5O3S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N5O3S/c29-20(6-2-1-5-19-22-17(14-32-19)25-23(31)26-22)24-8-9-27-11-15-10-16(13-27)18-4-3-7-21(30)28(18)12-15/h3-4,7,15-17,19,22H,1-2,5-6,8-14H2,(H,24,29)(H2,25,26,31)/t15-,16+,17+,19?,22+/m1/s1InChIKey
CTKKHGSNPKVJOD-SVPKUSQYSA-NSynonyms
5((3aS4S6aR)2oxohexahydro1Hthieno(34d)imidazol4yl)N(2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)pentanamide
InChI=1SC23H33N5O3Sc2920(6215192217(143219)2523(31)2622)24892711151016(1327)1843721(30)28(18)1215h34715171922H1256814H2(H2429)(H2252631)t1516+17+19?22+m1s1
N(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)5((3aS4S6aR)2oxohexahydro1Hthieno(34d)imidazol4yl)pentanamide
O=C(CCCCC1SC(C@H)2(C@@H)1NC(=O)N2)NCCN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
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