Vitas-M small molecule compound
methyl (2Z)-2-(furan-3-ylmethylidene)-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
STK959467
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/c2ccoc2)/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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-20-15(18(24)25-2)16(12-5-3-4-6-13(12)27-20)22-17(23)14(28-19(22)21-20)9-11-7-8-26-10-11/h3-10,15-16H,1-2H3/b14-9-InChIKey
ODHKJOMLCKTAGP-ZROIWOOFSA-NSynonyms
492425-27-1492425271
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=COC=C5)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccoc2)s1
InChI=1SC20H16N2O5Sc12015(18(24)252)16(12534613(12)2720)2217(23)14(2819(22)2120)91178261011h3101516H12H3b149
methyl(2Z)2(furan3ylmethylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD02175106
ZINC000100851177
ZINC000100851184
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