Vitas-M small molecule compound
(2'S,3R,3'S,7a'S)-7''-chloro-2'-[(3,4-dimethoxyphenyl)carbonyl]-5''-methyl-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Catalog ID
STL533005
SMILES COc1cc(ccc1OC)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cc(C)cc3Cl)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2
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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 C31H28ClN3O5 MW 558.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O5/c1-16-13-19-25(20(32)14-16)34-29(38)31(19)27(26(36)17-10-11-22(39-2)23(15-17)40-3)30(24-9-6-12-35(24)31)18-7-4-5-8-21(18)33-28(30)37/h4-5,7-8,10-11,13-15,24,27H,6,9,12H2,1-3H3,(H,33,37)(H,34,38)/t24-,27-,30+,31+/m0/s1InChIKey
XEXABDNAKDLJKS-LQBYHZHOSA-NSynonyms
1177904-15-2(2~(S))2((2((15~(S))10(3methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)3methylbutanoicacid
(2S3R3S7aS)7chloro2((34dimethoxyphenyl)carbonyl)5methyl11225677aoctahydro2Hdispiro(indole31pyrrolizine33indole)22dione
(2S3R3S7aS)7chloro2((34dimethoxyphenyl)carbonyl)5methyl5677atetrahydrodispiro(indole31pyrrolizine33indole)22(1H1H)dione
1177904152
16405118
COc1cc(ccc1OC)C(=O)(C@@H)1(C@)2(C(=O)Nc3c2cc(C)cc3Cl)N2(C@H)((C@)31C(=O)Nc1c3cccc1)CCC2
InChI=1SC32H30N4O6c117(2)26(31(39)40)3429(37)2112571424(21)3630(38)2516222011461323(20)3327(22)28(35(25)32(36)41)18981019(1518)423h4151725262833H16H213H3(H3437)(H3940)t252628?m0s1
MFCD06769091
ZINC000070701415
ZINC70701415
Check stock
See real-time availability and sample size for STL533005 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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