Vitas-M small molecule compound
ethyl (2Z)-2-[(1-ethyl-3,5-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
STL403351
SMILES CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/c2c(C)nn(c2C)CC)/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 C24H26N4O4S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S/c1-6-27-14(4)16(13(3)26-27)12-18-21(29)28-20-15-10-8-9-11-17(15)32-24(5,25-23(28)33-18)19(20)22(30)31-7-2/h8-12,19-20H,6-7H2,1-5H3/b18-12-InChIKey
RWVCRHKASXVSNZ-PDGQHHTCSA-NSynonyms
CCN1C(=C(C(=N1)C)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OCC)C
CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2c(C)nn(c2C)CC)s1
ethyl(2Z)2((1ethyl35dimethyl1Hpyrazol4yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
InChI=1SC24H26N4O4Sc162714(4)16(13(3)2627)121821(29)28201510891117(15)3224(52523(28)3318)19(20)22(30)3172h8121920H67H215H3b1812
MFCD28952632
ZINC000225350328
ZINC000225350365
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