Vitas-M small molecule compound
methyl (2E)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-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
STK956190
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2cn(nc2C)C)/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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-11-12(10-24(3)23-11)9-15-18(26)25-17-13-7-5-6-8-14(13)29-21(2,22-20(25)30-15)16(17)19(27)28-4/h5-10,16-17H,1-4H3/b15-9+InChIKey
QFXMLIDGVLULSP-OQLLNIDSSA-NSynonyms
1005041-39-31005041393
CC1=NN(C=C1C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC)C
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2cn(nc2C)C)s1
InChI=1SC21H20N4O4Sc11112(1024(3)2311)91518(26)251713756814(13)2921(22220(25)3015)16(17)19(27)284h5101617H14H3b159+
METHYL(2E)2((13DIMETHYL1HPYRAZOL4YL)METHYLENE)5METHYL1OXO12DIHYDRO5H11H511METHANO(13)THIAZOLO(23D)(135)BENZOXADIAZOCINE13CARBOXYLATE
methyl(2E)2((13dimethyl1Hpyrazol4yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD03466120
ZINC000104433373
ZINC000105262895
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