Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-6-chloro-2'-(5-methoxy-2-methyl-4-nitrophenyl)-7-methyl-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
STK569004
SMILES COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1ccc(c2C)Cl
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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 C25H23ClN4O6 MW 510.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O6/c1-11-9-17(30(34)35)18(36-3)10-16(11)29-22(31)19-15-5-4-8-28(15)25(20(19)23(29)32)13-6-7-14(26)12(2)21(13)27-24(25)33/h6-7,9-10,15,19-20H,4-5,8H2,1-3H3,(H,27,33)/t15-,19+,20-,25+/m0/s1InChIKey
QAQJDDJXOCYEIO-YVMWEGPTSA-NSynonyms
1013983-31-7(3S3aR8aS8bS)6chloro2(5methoxy2methyl4nitrophenyl)7methyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)6chloro2(5methoxy2methyl4nitrophenyl)7methyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)6chloro2(5methoxy2methyl4nitrophenyl)7methylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013983317
CC1=CC(=C(C=C1N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C(=C(C=C6)Cl)C)NC5=O)OC)(N+)(=O)(O)
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1ccc(c2C)Cl
InChI=1SC25H23ClN4O6c111917(30(34)35)18(363)1016(11)2922(31)191554828(15)25(20(19)23(29)32)136714(26)12(2)21(13)2724(25)33h67910151920H458H213H3(H2733)t1519+2025+m0s1
MFCD18245264
ZINC000020477502
ZINC20477502
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