Vitas-M small molecule compound

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

Catalog ID
STL007616
SMILES COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)ccc1OC

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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 C20H17ClN2O6 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6/c1-26-13-7-5-11(21)9-12(13)23-19(24)16-17(22-29-18(16)20(23)25)10-4-6-14(27-2)15(8-10)28-3/h4-9,16,18H,1-3H3/t16-,18+/m1/s1
InChIKey
PHOKPGVHJWAYTN-AEFFLSMTSA-N
Synonyms
1212412-15-1
(3aR6aS)5(5chloro2methoxyphenyl)3(34dimethoxyphenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(5chloro2methoxyphenyl)3(34dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(5chloro2methoxyphenyl)3(34dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212412151
COC1=C(C=C(C=C1)Cl)N2C(=O)C3C(C2=O)ON=C3C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1cc(Cl)ccc1OC
InChI=1SC20H17ClN2O6c126137511(21)912(13)2319(24)1617(222918(16)20(23)25)104614(272)15(810)283h491618H13H3t1618+m1s1
MFCD18247183
ZINC000101287730
ZINC101287730

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Available files

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