Vitas-M small molecule compound

3-(2-chlorophenyl)-6-(2,6-dimethylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione

Catalog ID
STK782929
SMILES O=C1C2C3CC(C2C(=O)N1c1c(C)cccc1C)C1C3C(=NO1)c1ccccc1Cl

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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 C24H21ClN2O3 MW 420.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O3/c1-11-6-5-7-12(2)21(11)27-23(28)17-14-10-15(18(17)24(27)29)22-19(14)20(26-30-22)13-8-3-4-9-16(13)25/h3-9,14-15,17-19,22H,10H2,1-2H3
InChIKey
ZEAROMMXUKOGHC-UHFFFAOYSA-N
Synonyms

(3aS4S4aR7aS8S8aS)3(2chlorophenyl)6(26dimethylphenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
3(2CHLOROPHENYL)6(26DIMETHYLPHENYL)4A7A88ATETRAHYDRO3AH48METHANO(12)OXAZOLO(45F)ISOINDOLE57(4H6H)DIONE
CC1=C(C(=CC=C1)C)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=CC=C6Cl
InChI=1SC24H21ClN2O3c11165712(2)21(11)2723(28)17141015(18(17)24(27)29)2219(14)20(263022)13834916(13)25h391415171922H10H212H3
MFCD06617235
O=C1(C@@H)2(C@H)3C(C@@H)((C@@H)2C(=O)N1c1c(C)cccc1C)(C@H)1(C@@H)3C(=NO1)c1ccccc1Cl
ZINC000247901581
ZINC000247901601

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Available files

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