Vitas-M small molecule compound
(1S,5R)-3-{[3,4-dimethyl-2-(1H-tetrazol-1-yl)phenyl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL543264
SMILES O=C(c1ccc(c(c1n1cnnn1)C)C)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 C21H22N6O2 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O2/c1-13-6-7-17(20(14(13)2)27-12-22-23-24-27)21(29)25-9-15-8-16(11-25)18-4-3-5-19(28)26(18)10-15/h3-7,12,15-16H,8-11H2,1-2H3/t15-,16+/m0/s1InChIKey
NHWWJAONYQPKLI-JKSUJKDBSA-NSynonyms
(1R5S)3(34dimethyl2(1Htetrazol1yl)benzoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((34dimethyl2(1Htetrazol1yl)phenyl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC21H22N6O2c1136717(20(14(13)2)271222232427)21(29)25915816(1125)1843519(28)26(18)1015h37121516H811H212H3t1516+m0s1
O=C(c1ccc(c(c1n1cnnn1)C)C)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000225411158
Check stock
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