Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-7-chloro-2'-(4-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
STL049183
SMILES O=C1N(c2ccc(cc2)[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 C22H17ClN4O5 MW 452.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O5/c23-14-4-1-3-13-18(14)24-21(30)22(13)17-16(15-5-2-10-25(15)22)19(28)26(20(17)29)11-6-8-12(9-7-11)27(31)32/h1,3-4,6-9,15-17H,2,5,10H2,(H,24,30)/t15-,16+,17-,22+/m0/s1
InChIKey
ZJCOKKWMBTWXAE-DVSDUFGPSA-N
Synonyms
1013836-99-1
(3S3aR8aS8bS)7chloro2(4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7chloro2(4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)7chloro2(4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013836991
C1CC2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))C5(N2C1)C6=C(C(=CC=C6)Cl)NC5=O
InChI=1SC22H17ClN4O5c23144131318(14)2421(30)22(13)1716(15521025(15)22)19(28)26(20(17)29)116812(9711)27(31)32h134691517H2510H2(H2430)t1516+1722+m0s1
MFCD18249252
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)(C@@H)2(C@H)1(C@@H)1CCCN1(C@)12C(=O)Nc2c1cccc2Cl
ZINC000015996855
ZINC15996855

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Available files

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