Vitas-M small molecule compound
2-methyl-5-{4-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]phthalazin-1-yl}benzenesulfonamide
Catalog ID
STL526896
SMILES O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)c1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N)C
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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 C26H25N5O3S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3S/c1-16-9-10-18(12-23(16)35(27,33)34)25-20-5-2-3-6-21(20)26(29-28-25)30-13-17-11-19(15-30)22-7-4-8-24(32)31(22)14-17/h2-10,12,17,19H,11,13-15H2,1H3,(H2,27,33,34)/t17-,19-/m0/s1InChIKey
QKZUMGITWTVBMJ-HKUYNNGSSA-NSynonyms
1212443-88-31212443883
16397439
2methyl5(4((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)phthalazin1yl)benzenesulfonamide
2methyl5(4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)phthalazin1yl)benzenesulfonamide
2methyl5(4((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)phthalazin1yl)benzenesulfonamide
InChI=1SC26H25N5O3Sc11691018(1223(16)35(2733)34)2520523621(20)26(292825)3013171119(1530)2274824(32)31(22)1417h210121719H111315H21H3(H2273334)t1719m0s1
MFCD03005974
O=c1cccc2n1C(C@@H)1CN(C(C@H)2C1)c1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N)C
ZINC000100746360
ZINC100746360
Check stock
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.