Vitas-M small molecule compound
ethyl 4-({[(3R,3'S,5'R)-5'-benzyl-5-methyl-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-3'-yl]carbonyl}amino)benzoate
Catalog ID
STL534936
SMILES CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1)Cc1ccccc1
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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 C29H29N3O4 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4/c1-3-36-27(34)20-10-12-21(13-11-20)30-26(33)24-17-22(16-19-7-5-4-6-8-19)32-29(24)23-15-18(2)9-14-25(23)31-28(29)35/h4-15,22,24,32H,3,16-17H2,1-2H3,(H,30,33)(H,31,35)/t22-,24+,29-/m0/s1InChIKey
HOVPFYILYPOEDM-KNAJXNNHSA-NSynonyms
956924-40-616406548
956924406
CCOC(=O)c1ccc(cc1)NC(=O)(C@H)1C(C@@H)(N(C@@)21C(=O)Nc1c2cc(C)cc1)Cc1ccccc1
ethyl4((((3R3S5R)5benzyl5methyl2oxo12dihydrospiro(indole32pyrrolidin)3yl)carbonyl)amino)benzoate
ethyl4(((3~(R)3~(S)5~(R))5benzyl5methyl2oxospiro(1~(H)indole32pyrrolidine)3carbonyl)amino)benzoate
ethyl4((2R3S5R)5benzyl5methyl2oxospiro(indoline32pyrrolidin)3ylcarboxamido)benzoate
InChI=1SC29H29N3O4c133627(34)20101221(131120)3026(33)241722(16197546819)3229(24)231518(2)91425(23)3128(29)35h415222432H31617H212H3(H3033)(H3135)t2224+29m0s1
MFCD07637889
ZINC000035365943
ZINC35365943
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