Vitas-M small molecule compound
methyl 2-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5-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
STL529912
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2
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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 C31H26N4O5 MW 534.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N4O5/c1-16-11-12-22-20(13-16)31(30(39)33-22)26-25(23(34-31)14-17-15-32-21-9-5-3-7-18(17)21)27(36)35(28(26)37)24-10-6-4-8-19(24)29(38)40-2/h3-13,15,23,25-26,32,34H,14H2,1-2H3,(H,33,39)/t23?,25-,26+,31?/m1/s1InChIKey
YVCBSDQKMXLUPC-HDSAAQIDSA-NSynonyms
957020-53-016404326
957020530
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(C)cc2
InChI=1SC31H26N4O5c11611122220(1316)31(30(39)3322)2625(23(3431)1417153221953718(17)21)27(36)35(28(26)37)241064819(24)29(38)402h313152325263234H14H212H3(H3339)t23?2526+31?m1s1
methyl2((3~(a)~(R)6~(a)~(S))1(1~(H)indol3ylmethyl)5methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
methyl2((3aS6aR)3((1Hindol3yl)methyl)5methyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
methyl2((3aS6aR)3(1Hindol3ylmethyl)5methyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
MFCD06766789
ZINC000070700386
ZINC000070700395
Check stock
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Check stock on Vitas-MAvailable files
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