Vitas-M small molecule compound
methyl 2-[(3a'S,6a'R)-5-chloro-3'-(1H-indol-3-ylmethyl)-7-methyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzoate
Catalog ID
STL530434
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2C
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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 C31H25ClN4O5 MW 569.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN4O5/c1-15-11-17(32)13-20-26(15)34-30(40)31(20)25-24(22(35-31)12-16-14-33-21-9-5-3-7-18(16)21)27(37)36(28(25)38)23-10-6-4-8-19(23)29(39)41-2/h3-11,13-14,22,24-25,33,35H,12H2,1-2H3,(H,34,40)/t22?,24-,25+,31?/m1/s1InChIKey
SWKHSAVLZHPMIR-VADGZRSGSA-NSynonyms
956965-30-316405888
956965303
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2C
InChI=1SC31H25ClN4O5c1151117(32)132026(15)3430(40)31(20)2524(22(3531)1216143321953718(16)21)27(37)36(28(25)38)231064819(23)29(39)412h31113142224253335H12H212H3(H3440)t22?2425+31?m1s1
methyl2((3~(a)~(R)6~(a)~(S))5chloro1(1~(H)indol3ylmethyl)7methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
methyl2((3aS6aR)3((1Hindol3yl)methyl)5chloro7methyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
methyl2((3aS6aR)5chloro3(1Hindol3ylmethyl)7methyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
MFCD07637286
ZINC000070706141
ZINC000070706150
Check stock
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Check stock on Vitas-MAvailable files
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