Vitas-M small molecule compound
4-[4-cyano-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide
Catalog ID
STL536063
SMILES N#Cc1nc(oc1N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)S(=O)(=O)N(CC)CC
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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 C25H27N5O4S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4S/c1-3-29(4-2)35(32,33)20-10-8-18(9-11-20)24-27-21(13-26)25(34-24)28-14-17-12-19(16-28)22-6-5-7-23(31)30(22)15-17/h5-11,17,19H,3-4,12,14-16H2,1-2H3/t17-,19+/m0/s1InChIKey
DKJZCOBOJMJIJD-PKOBYXMFSA-NSynonyms
4(4cyano5((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)oxazol2yl)NNdiethylbenzenesulfonamide
4(4cyano5(8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)13oxazol2yl)NNdiethylbenzenesulfonamide
InChI=1SC25H27N5O4Sc1329(42)35(3233)2010818(91120)242721(1326)25(3424)2814171219(1628)2265723(31)30(22)1517h5111719H34121416H212H3t1719+m0s1
MFCD12030124
N#Cc1nc(oc1N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)S(=O)(=O)N(CC)CC
ZINC000032124037
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