Vitas-M small molecule compound
(1S,5S)-3-{3-[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]propanoyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL524588
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCn1nc(c2c1C[C@@H]1[C@H]2C1(C)C)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 C24H30N4O2 MW 406.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O2/c1-14-22-19(10-17-23(22)24(17,2)3)28(25-14)8-7-20(29)26-11-15-9-16(13-26)18-5-4-6-21(30)27(18)12-15/h4-6,15-17,23H,7-13H2,1-3H3/t15-,16+,17+,23+/m0/s1InChIKey
VBVKVTWVHZSWRY-MTNXABLMSA-NSynonyms
(1R5S)3(3((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3(3((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC24H30N4O2c1142219(101723(22)24(172)3)28(2514)8720(29)261115916(1326)1854621(30)27(18)1215h46151723H713H213H3t1516+17+23+m0s1
MFCD01881122
O=C(N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CCn1nc(c2c1C(C@@H)1(C@H)2C1(C)C)C
ZINC000002107968
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