Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-6-chloro-2'-(4-chloro-3-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
STL053607
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)[C@@H]2[C@H]1[C@@H]1CCCN1[C@]12C(=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 C23H18Cl2N4O5 MW 501.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl2N4O5/c1-10-13(24)7-5-12-19(10)26-22(32)23(12)18-17(15-3-2-8-27(15)23)20(30)28(21(18)31)11-4-6-14(25)16(9-11)29(33)34/h4-7,9,15,17-18H,2-3,8H2,1H3,(H,26,32)/t15-,17+,18-,23+/m0/s1
InChIKey
MVRFQLHSZBCHKP-XQNUDUSMSA-N
Synonyms
1014002-12-0
(3S3aR8aS8bS)6chloro2(4chloro3nitrophenyl)7methyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)6chloro2(4chloro3nitrophenyl)7methyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)6chloro2(4chloro3nitrophenyl)7methylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014002120
CC1=C(C=CC2=C1NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)(N+)(=O)(O))Cl
InChI=1SC23H18Cl2N4O5c11013(24)751219(10)2622(32)23(12)1817(1532827(15)23)20(30)28(21(18)31)114614(25)16(911)29(33)34h479151718H238H21H3(H2632)t1517+1823+m0s1
MFCD18249551
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)(C@@H)2(C@H)1(C@@H)1CCCN1(C@)12C(=O)Nc2c1ccc(c2C)Cl
ZINC000016000284
ZINC16000284

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Available files

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