Vitas-M small molecule compound
(6-fluoro-1H-indol-3-yl)[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetic acid
Catalog ID
STL535692
SMILES Fc1ccc2c(c1)[nH]cc2C(N1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)C(=O)O
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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 C21H20FN3O3 MW 381.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O3/c22-14-4-5-15-16(8-23-17(15)7-14)20(21(27)28)24-9-12-6-13(11-24)18-2-1-3-19(26)25(18)10-12/h1-5,7-8,12-13,20,23H,6,9-11H2,(H,27,28)/t12-,13+,20?/m1/s1InChIKey
PBEOQKTUWUYVGP-OBIPXCIUSA-NSynonyms
(6fluoro1Hindol3yl)((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)aceticacid
2(6fluoro1Hindol3yl)2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)aceticacid
Fc1ccc2c(c1)(nH)cc2C(N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C(=O)O
InChI=1SC21H20FN3O3c2214451516(82317(15)714)20(21(27)28)24912613(1124)1821319(26)25(18)1012h157812132023H6911H2(H2728)t1213+20?m1s1
MFCD12029004
ZINC000100790123
ZINC000100790125
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