Vitas-M small molecule compound

ethyl 4-[(3S,3a'R,8a'S,8b'S)-7-chloro-5-methyl-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
STL531584
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)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 C26H24ClN3O5 MW 493.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O5/c1-3-35-24(33)14-6-8-15(9-7-14)30-22(31)19-18-5-4-10-29(18)26(20(19)23(30)32)16-11-13(2)12-17(27)21(16)28-25(26)34/h6-9,11-12,18-20H,3-5,10H2,1-2H3,(H,28,34)/t18-,19+,20-,26+/m0/s1
InChIKey
PEIUJEPBMKMDOY-GTPNXJITSA-N
Synonyms
956815-75-1
16402405
956815751
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(C)cc2Cl
ethyl4((3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))7chloro5methyl123trioxospiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)2yl)benzoate
ethyl4((3S3aR8aS8bS)7chloro5methyl123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)benzoate
ethyl4((3S3aR8aS8bS)7chloro5methyl123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)benzoate
InChI=1SC26H24ClN3O5c133524(33)146815(9714)3022(31)1918541029(18)26(20(19)23(30)32)161113(2)1217(27)21(16)2825(26)34h6911121820H3510H212H3(H2834)t1819+2026+m0s1
MFCD06493591
ZINC000035805204
ZINC35805204

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Available files

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