Vitas-M small molecule compound
methyl (2E)-5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STK956488
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2cnn(c2)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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-20-15(18(26)27-3)16(12-6-4-5-7-13(12)28-20)24-17(25)14(29-19(24)22-20)8-11-9-21-23(2)10-11/h4-10,15-16H,1-3H3/b14-8+InChIKey
UQUPRKVKOUMIQM-RIYZIHGNSA-NSynonyms
1005083-16-81005083168
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CN(N=C5)C)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2cnn(c2)C)s1
InChI=1SC20H18N4O4Sc12015(18(26)273)16(12645713(12)2820)2417(25)14(2919(24)2220)81192123(2)1011h4101516H13H3b148+
METHYL(2E)5METHYL2((1METHYL1HPYRAZOL4YL)METHYLENE)1OXO12DIHYDRO5H11H511METHANO(13)THIAZOLO(23D)(135)BENZOXADIAZOCINE13CARBOXYLATE
methyl(2E)5methyl2((1methyl1Hpyrazol4yl)methylidene)1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD03467110
ZINC000101619261
ZINC000101947118
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