Vitas-M small molecule compound
methyl 2-[(3S,3a'R,8a'S,8b'S)-7-ethyl-1',2,3'-trioxo-1,1',2,3',3a',6',7',8',8a',8b'-decahydro-2'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizin]-2'-yl]benzoate
Catalog ID
STL008592
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2CC
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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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-3-14-8-6-10-16-21(14)27-25(33)26(16)20-19(18-12-7-13-28(18)26)22(30)29(23(20)31)17-11-5-4-9-15(17)24(32)34-2/h4-6,8-11,18-20H,3,7,12-13H2,1-2H3,(H,27,33)/t18-,19+,20-,26+/m0/s1InChIKey
BVXVJDXDVZXLNT-GTPNXJITSA-NSynonyms
957030-37-4957030374
CCC1=CC=CC2=C1NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC=CC=C6C(=O)OC
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cccc2CC
InChI=1SC26H25N3O5c131486101621(14)2725(33)26(16)2019(181271328(18)26)22(30)29(23(20)31)171154915(17)24(32)342h468111820H371213H212H3(H2733)t1819+2026+m0s1
methyl2((3S3aR8aS8bS)7ethyl123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)benzoate
methyl2((3S3aR8aS8bS)7ethyl123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)benzoate
methyl2((3S3aR8aS8bS)7ethyl123trioxospiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)2yl)benzoate
MFCD06494838
ZINC000015958154
ZINC15958154
Check stock
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Check stock on Vitas-MAvailable files
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