Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-ethyl-2'-(4-methyl-3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione

Catalog ID
STL529373
SMILES CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])C

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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 C25H24N4O5 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5/c1-3-14-7-9-17-16(11-14)25(24(32)26-17)21-20(18-5-4-10-27(18)25)22(30)28(23(21)31)15-8-6-13(2)19(12-15)29(33)34/h6-9,11-12,18,20-21H,3-5,10H2,1-2H3,(H,26,32)/t18-,20+,21-,25+/m0/s1
InChIKey
UDGNBLFELYPSCF-BINBFKAUSA-N
Synonyms
957000-18-9
(3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))5ethyl2(4methyl3nitrophenyl)spiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)123trione
(3S3aR8aS8bS)5ethyl2(4methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5ethyl2(4methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
16404491
957000189
CCc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC25H24N4O5c1314791716(1114)25(24(32)2617)2120(18541027(18)25)22(30)28(23(21)31)158613(2)19(1215)29(33)34h691112182021H3510H212H3(H2632)t1820+2125+m0s1
MFCD06767242
ZINC000015968251
ZINC15968251

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Available files

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