Vitas-M small molecule compound

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

Catalog ID
STK587940
SMILES COc1ccc(cc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2

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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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-26-13-5-3-11(9-15(13)27-2)18-17-19(30-22-18)21(25)23(20(17)24)12-4-6-14-16(10-12)29-8-7-28-14/h3-6,9-10,17,19H,7-8H2,1-2H3/t17-,19+/m1/s1
InChIKey
NZWKEKMSNVGLRJ-MJGOQNOKSA-N
Synonyms
1164501-23-8
(3aR6aS)5(23dihydro14benzodioxin6yl)3(34dimethoxyphenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(23dihydro14benzodioxin6yl)3(34dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(23dihydrobenzo(b)(14)dioxin6yl)3(34dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1164501238
COC1=C(C=C(C=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCCO5)OC
COc1ccc(cc1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
InChI=1SC21H18N2O7c126135311(915(13)272)181719(302218)21(25)23(20(17)24)12461416(1012)29872814h369101719H78H212H3t1719+m1s1
MFCD18245825
ZINC000100429737
ZINC100429737

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Available files

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