Vitas-M small molecule compound

(3aR,6aS)-5-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione

Catalog ID
STK589989
SMILES COc1ccc(cc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)ccc1C)OC

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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 C20H17ClN2O5 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5/c1-10-4-5-11(21)8-14(10)23-19(24)16-17(22-28-18(16)20(23)25)13-9-12(26-2)6-7-15(13)27-3/h4-9,16,18H,1-3H3/t16-,18+/m1/s1
InChIKey
UPANDBWXONDTDQ-AEFFLSMTSA-N
Synonyms
1212090-12-4
(3AR6AS)5(5CHLORO2METHYLPHENYL)3(25DIMETHOXYPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)5(5chloro2methylphenyl)3(25dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(5chloro2methylphenyl)3(25dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212090124
CC1=C(C=C(C=C1)Cl)N2C(=O)C3C(C2=O)ON=C3C4=C(C=CC(=C4)OC)OC
COc1ccc(cc1C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1cc(Cl)ccc1C)OC
InChI=1SC20H17ClN2O5c1104511(21)814(10)2319(24)1617(222818(16)20(23)25)13912(262)6715(13)273h491618H13H3t1618+m1s1
MFCD18245871
ZINC000101270997
ZINC101270997

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Available files

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