Vitas-M small molecule compound
(1S,5S)-8-oxo-N-{(2S)-1-oxo-1-[(4-phenoxyphenyl)amino]-3-phenylpropan-2-yl}-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL537756
SMILES O=C([C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1)Nc1ccc(cc1)Oc1ccccc1
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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 C33H32N4O4 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O4/c38-31-13-7-12-30-25-18-24(21-37(30)31)20-36(22-25)33(40)35-29(19-23-8-3-1-4-9-23)32(39)34-26-14-16-28(17-15-26)41-27-10-5-2-6-11-27/h1-17,24-25,29H,18-22H2,(H,34,39)(H,35,40)/t24-,25+,29-/m0/s1InChIKey
BYNRIJNAADJHPD-FVVBACEJSA-NSynonyms
(1R5R)8oxoN((S)1oxo1((4phenoxyphenyl)amino)3phenylpropan2yl)4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)8oxoN((2S)1oxo1((4phenoxyphenyl)amino)3phenylpropan2yl)1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
InChI=1SC33H32N4O4c38311371230251824(2137(30)31)2036(2225)33(40)3529(19238314923)32(39)3426141628(171526)4127105261127h117242529H1822H2(H3439)(H3540)t2425+29m0s1
O=C((C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1)Nc1ccc(cc1)Oc1ccccc1
ZINC000002094689
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