Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-7-chloro-2'-(2-methyl-5-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
STL041721
SMILES O=C1N(c2cc(ccc2C)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H]1CCCN1[C@]12C(=O)Nc2c1cccc2Cl

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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 C23H19ClN4O5 MW 466.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O5/c1-11-7-8-12(28(32)33)10-16(11)27-20(29)17-15-6-3-9-26(15)23(18(17)21(27)30)13-4-2-5-14(24)19(13)25-22(23)31/h2,4-5,7-8,10,15,17-18H,3,6,9H2,1H3,(H,25,31)/t15-,17+,18-,23+/m0/s1
InChIKey
HUESUTSWNOZRIV-XQNUDUSMSA-N
Synonyms
1014006-49-5
(3S3aR8aS8bS)7chloro2(2methyl5nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7chloro2(2methyl5nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)7chloro2(2methyl5nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014006495
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C(=CC=C6)Cl)NC5=O
InChI=1SC23H19ClN4O5c1117812(28(32)33)1016(11)2720(29)171563926(15)23(18(17)21(27)30)1342514(24)19(13)2522(23)31h2457810151718H369H21H3(H2531)t1517+1823+m0s1
MFCD18248115
O=C1N(c2cc(ccc2C)(N+)(=O)(O))C(=O)(C@@H)2(C@H)1(C@@H)1CCCN1(C@)12C(=O)Nc2c1cccc2Cl
ZINC000020391788
ZINC20391788

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Available files

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