Vitas-M small molecule compound

(8S,8aR,11aS,11bS)-10-(3-chloro-4-fluorophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STK558403
SMILES O=C1N(c2ccc(c(c2)Cl)F)C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

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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 C25H22ClFN2O3 MW 452.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClFN2O3/c1-25(2,3)22(30)21-19-18(20-15-7-5-4-6-13(15)10-11-28(20)21)23(31)29(24(19)32)14-8-9-17(27)16(26)12-14/h4-12,18-21H,1-3H3/t18-,19+,20+,21-/m0/s1
InChIKey
XCJBUTYEPXPYJJ-BQJUDKOJSA-N
Synonyms
1013986-63-4
(8S8aR11aS11bS)10(3chloro4fluorophenyl)8(22dimethylpropanoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS11bS)10(3chloro4fluorophenyl)8pivaloyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013986634
CC(C)(C)C(=O)C1C2C(C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=C(C=C5)F)Cl
InChI=1SC25H22ClFN2O3c125(23)22(30)211918(2015754613(15)101128(20)21)23(31)29(24(19)32)148917(27)16(26)1214h4121821H13H3t1819+20+21m0s1
MFCD18243085
O=C1N(c2ccc(c(c2)Cl)F)C(=O)(C@@H)2(C@H)1(C@@H)1N((C@@H)2C(=O)C(C)(C)C)C=Cc2c1cccc2
ZINC000020331859
ZINC20331859

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Available files

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