Vitas-M small molecule compound
3-{[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL437832
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2
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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 C23H25N5O4S2 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4S2/c29-21-6-2-4-19-17-11-15(13-28(19)21)12-26(14-17)23(30)16-7-9-27(10-8-16)34(31,32)20-5-1-3-18-22(20)25-33-24-18/h1-6,15-17H,7-14H2InChIKey
KCZUZMUZQKBSSH-UHFFFAOYSA-NSynonyms
3((1(213benzothiadiazol4ylsulfonyl)piperidin4yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
C1CN(CCC1C(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3)S(=O)(=O)C5=CC=CC6=NSN=C65
InChI=1SC23H25N5O4S2c292162419171115(1328(19)21)1226(1417)23(30)167927(10816)34(3132)205131822(20)25332418h161517H714H2
MFCD08273149
ZINC000033429132
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