Vitas-M small molecule compound
methyl (2E)-2-{4-methoxy-3-[(2-methylphenoxy)methyl]benzylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STL175977
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(c(c2)COc2ccccc2C)OC)/s1
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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 C31H28N2O6S MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6S/c1-18-9-5-7-11-22(18)38-17-20-15-19(13-14-23(20)36-3)16-25-28(34)33-27-21-10-6-8-12-24(21)39-31(2,32-30(33)40-25)26(27)29(35)37-4/h5-16,26-27H,17H2,1-4H3/b25-16+InChIKey
JWEQRJSCTFBRSI-PCLIKHOPSA-NSynonyms
1025306-90-41025306904
CC1=CC=CC=C1OCC2=C(C=CC(=C2)C=C3C(=O)N4C5C(C(N=C4S3)(OC6=CC=CC=C56)C)C(=O)OC)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(c(c2)COc2ccccc2C)OC)s1
InChI=1SC31H28N2O6Sc1189571122(18)3817201519(131423(20)363)162528(34)33272110681224(21)3931(23230(33)4025)26(27)29(35)374h5162627H17H214H3b2516+
methyl(2E)2(4methoxy3((2methylphenoxy)methyl)benzylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD03466998
RBOXYLATE
ZINC000105263032
ZINC000105263037
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