Vitas-M small molecule compound
methyl 2-[(3a'S,6a'R)-5-chloro-3'-(1H-indol-3-ylmethyl)-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
STL533626
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(Cl)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 C30H23ClN4O5 MW 554.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN4O5/c1-40-28(38)18-7-3-5-9-23(18)35-26(36)24-22(12-15-14-32-20-8-4-2-6-17(15)20)34-30(25(24)27(35)37)19-13-16(31)10-11-21(19)33-29(30)39/h2-11,13-14,22,24-25,32,34H,12H2,1H3,(H,33,39)/t22?,24-,25+,30?/m1/s1InChIKey
MMNUQQYQOPVVFV-YOOBWNNLSA-NSynonyms
956980-72-616405748
956980726
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2
InChI=1SC30H23ClN4O5c14028(38)18735923(18)3526(36)2422(1215143220842617(15)20)3430(25(24)27(35)37)191316(31)101121(19)3329(30)39h21113142224253234H12H21H3(H3339)t22?2425+30?m1s1
methyl2((3~(a)~(R)6~(a)~(S))5chloro1(1~(H)indol3ylmethyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
methyl2((3aS6aR)3((1Hindol3yl)methyl)5chloro246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
methyl2((3aS6aR)5chloro3(1Hindol3ylmethyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
MFCD07637195
ZINC000070705546
ZINC000070705552
Check stock
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Check stock on Vitas-MAvailable files
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