Vitas-M small molecule compound
(7Z)-7-(1,3-benzodioxol-5-ylmethylidene)-3-(4-fluorobenzyl)-9-methyl-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-one
Catalog ID
STL099407
SMILES Fc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)O/C(=C\c2ccc3c(c2)OCO3)/C1=O
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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 C26H20FNO5 MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20FNO5/c1-15-25-18(12-28(13-30-25)11-16-2-5-19(27)6-3-16)10-20-24(29)23(33-26(15)20)9-17-4-7-21-22(8-17)32-14-31-21/h2-10H,11-14H2,1H3/b23-9-InChIKey
HENVSVWAWGERTE-AQHIEDMUSA-NSynonyms
(7Z)7(13benzodioxol5ylmethylidene)3((4fluorophenyl)methyl)9methyl24dihydrofuro(32g)(13)benzoxazin6one
(7Z)7(13benzodioxol5ylmethylidene)3(4fluorobenzyl)9methyl34dihydro2Hfuro(32g)(13)benzoxazin6(7H)one
CC1=C2C(=CC3=C1OCN(C3)CC4=CC=C(C=C4)F)C(=O)C(=CC5=CC6=C(C=C5)OCO6)O2
Fc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)OC(=Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC26H20FNO5c1152518(1228(133025)11162519(27)6316)102024(29)23(3326(15)20)917472122(817)32143121h210H1114H21H3b239
MFCD10041396
ZINC000028541909
ZINC28541909
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