Vitas-M small molecule compound
ethyl 4-({[(3R,3'S,5'R)-5,7-dimethyl-2-oxo-5'-(propan-2-yl)-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-3'-yl]carbonyl}amino)benzoate
Catalog ID
STL534020
SMILES CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1C)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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c1-6-33-24(31)17-7-9-18(10-8-17)27-23(30)20-13-21(14(2)3)29-26(20)19-12-15(4)11-16(5)22(19)28-25(26)32/h7-12,14,20-21,29H,6,13H2,1-5H3,(H,27,30)(H,28,32)/t20-,21-,26+/m1/s1InChIKey
BVTKSOLSMVGMBC-YPCDYVTLSA-NSynonyms
956996-52-416406551
956996524
CCOC(=O)c1ccc(cc1)NC(=O)(C@H)1C(C@@H)(N(C@@)21C(=O)Nc1c2cc(C)cc1C)C(C)C
ethyl4((((3R3S5R)57dimethyl2oxo5(propan2yl)12dihydrospiro(indole32pyrrolidin)3yl)carbonyl)amino)benzoate
ethyl4(((3~(R)3~(S)5~(R))57dimethyl2oxo5propan2ylspiro(1~(H)indole32pyrrolidine)3carbonyl)amino)benzoate
ethyl4((2R3S5R)5isopropyl57dimethyl2oxospiro(indoline32pyrrolidin)3ylcarboxamido)benzoate
InChI=1SC26H31N3O4c163324(31)177918(10817)2723(30)201321(14(2)3)2926(20)191215(4)1116(5)22(19)2825(26)32h71214202129H613H215H3(H2730)(H2832)t202126+m1s1
MFCD07637893
ZINC000008876806
ZINC8876806
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