Vitas-M small molecule compound
(2E)-13-acetyl-2-{3-[(2,3-dimethylphenoxy)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
STL176533
SMILES COc1ccc(cc1COc1cccc(c1C)C)/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 C32H30N2O5S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O5S/c1-18-9-8-12-24(19(18)2)38-17-22-15-21(13-14-25(22)37-5)16-27-30(36)34-29-23-10-6-7-11-26(23)39-32(4,28(29)20(3)35)33-31(34)40-27/h6-16,28-29H,17H2,1-5H3/b27-16+InChIKey
PEUVUBIZOHGDEV-JVWAILMASA-NSynonyms
1025307-84-9(2E)13acetyl2(3((23dimethylphenoxy)methyl)4methoxybenzylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1025307849
CC1=C(C(=CC=C1)OCC2=C(C=CC(=C2)C=C3C(=O)N4C5C(C(N=C4S3)(OC6=CC=CC=C56)C)C(=O)C)OC)C
COc1ccc(cc1COc1cccc(c1C)C)C=c1sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)C
InChI=1SC32H30N2O5Sc118981224(19(18)2)3817221521(131425(22)375)162730(36)34292310671126(23)3932(428(29)20(3)35)3331(34)4027h6162829H17H215H3b2716+
MFCD04049101
ZINC000098045989
ZINC000098045990
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