Vitas-M small molecule compound
[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl](2-phenyl-1H-indol-3-yl)acetic acid
Catalog ID
STL537203
SMILES OC(=O)C(c1c([nH]c2c1cccc2)c1ccccc1)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 C27H25N3O3 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3/c31-23-12-6-11-22-19-13-17(15-30(22)23)14-29(16-19)26(27(32)33)24-20-9-4-5-10-21(20)28-25(24)18-7-2-1-3-8-18/h1-12,17,19,26,28H,13-16H2,(H,32,33)/t17-,19+,26?/m1/s1InChIKey
YLZOZZYMECKTBE-CYORASJTSA-NSynonyms
((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)(2phenyl1Hindol3yl)aceticacid
2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)2(2phenyl1Hindol3yl)aceticacid
InChI=1SC27H25N3O3c31231261122191317(1530(22)23)1429(1619)26(27(32)33)24209451021(20)2825(24)187213818h11217192628H1316H2(H3233)t1719+26?m1s1
MFCD12028997
OC(=O)C(c1c((nH)c2c1cccc2)c1ccccc1)N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
ZINC000100790105
ZINC000100790107
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