Vitas-M small molecule compound

(8S,8aR,11aS,11bS)-10-cyclohexyl-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
STK556565
SMILES O=C1N(C2CCCCC2)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 C25H30N2O3 MW 406.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3/c1-25(2,3)22(28)21-19-18(20-17-12-8-7-9-15(17)13-14-26(20)21)23(29)27(24(19)30)16-10-5-4-6-11-16/h7-9,12-14,16,18-21H,4-6,10-11H2,1-3H3/t18-,19+,20+,21-/m0/s1
InChIKey
ULNZVSBWMWLJBK-BQJUDKOJSA-N
Synonyms
958955-88-9
(8S8aR11aS11bS)10cyclohexyl8(22dimethylpropanoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS11bS)10cyclohexyl8pivaloyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
958955889
CC(C)(C)C(=O)C1C2C(C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5CCCCC5
InChI=1SC25H30N2O3c125(23)22(28)211918(20171287915(17)131426(20)21)23(29)27(24(19)30)16105461116h791214161821H461011H213H3t1819+20+21m0s1
MFCD18242954
O=C1N(C2CCCCC2)C(=O)(C@@H)2(C@H)1(C@@H)1N((C@@H)2C(=O)C(C)(C)C)C=Cc2c1cccc2
ZINC000097953235
ZINC97953235

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Available files

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