Vitas-M small molecule compound

(2E)-13-acetyl-2-{3-[(2,4-difluorophenoxy)methyl]-4-methoxybenzylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one

Catalog ID
STL175985
SMILES COc1ccc(cc1COc1ccc(cc1F)F)/C=c\1/sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)C

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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 C30H24F2N2O5S MW 562.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24F2N2O5S/c1-16(35)26-27-20-6-4-5-7-23(20)39-30(26,2)33-29-34(27)28(36)25(40-29)13-17-8-10-22(37-3)18(12-17)15-38-24-11-9-19(31)14-21(24)32/h4-14,26-27H,15H2,1-3H3/b25-13+
InChIKey
JXAJZKGTWAWETQ-DHRITJCHSA-N
Synonyms
1025611-27-1
(2E)13acetyl2(3((24difluorophenoxy)methyl)4methoxybenzylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1025611271
CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC(=C(C=C5)OC)COC6=C(C=C(C=C6)F)F)S4)C
COc1ccc(cc1COc1ccc(cc1F)F)C=c1sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)C
InChI=1SC30H24F2N2O5Sc116(35)262720645723(20)3930(262)332934(27)28(36)25(4029)131781022(373)18(1217)15382411919(31)1421(24)32h4142627H15H213H3b2513+
MFCD03467088
ZINC000102831311
ZINC000102831316

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Available files

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