Vitas-M small molecule compound
ethyl 4-[(3a'S,6a'R)-7-chloro-3'-(3,4-dihydroxybenzyl)-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
STK584815
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(C)cc2Cl
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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 C30H26ClN3O7 MW 576.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O7/c1-3-41-28(39)16-5-7-17(8-6-16)34-26(37)23-20(12-15-4-9-21(35)22(36)13-15)33-30(24(23)27(34)38)18-10-14(2)11-19(31)25(18)32-29(30)40/h4-11,13,20,23-24,33,35-36H,3,12H2,1-2H3,(H,32,40)/t20?,23-,24+,30?/m1/s1InChIKey
VUAIQSVTXOLYCX-JOQNDGBHSA-NSynonyms
1212452-52-21212452522
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=CC(=CC(=C5NC4=O)Cl)C)CC6=CC(=C(C=C6)O)O
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(C)cc2Cl
ethyl4((3aR6aS)7chloro1((34dihydroxyphenyl)methyl)5methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)benzoate
ethyl4((3aS6aR)7chloro3(34dihydroxybenzyl)5methyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
ethyl4((3aS6aR)7chloro3(34dihydroxybenzyl)5methyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
InChI=1SC30H26ClN3O7c134128(39)165717(8616)3426(37)2320(12154921(35)22(36)1315)3330(24(23)27(34)38)181014(2)1119(31)25(18)3229(30)40h41113202324333536H312H212H3(H3240)t20?2324+30?m1s1
MFCD18158267
ZINC000101671452
ZINC000101671462
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