Vitas-M small molecule compound
(2Z)-2-[(1-ethyl-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-carboxamide
Catalog ID
STL181728
SMILES CCn1ncc(c1)/C=c/1\sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)N)C
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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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-3-24-10-11(9-22-24)8-14-18(27)25-16-12-6-4-5-7-13(12)28-20(2,15(16)17(21)26)23-19(25)29-14/h4-10,15-16H,3H2,1-2H3,(H2,21,26)/b14-8-InChIKey
TXTIOODFLBVBJD-ZSOIEALJSA-NSynonyms
1263038-33-0(2Z)2((1ethyl1Hpyrazol4yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxamide
1263038330
CCN1C=C(C=N1)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)N
CCn1ncc(c1)C=c1sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)N)C
InChI=1SC20H19N5O3Sc13241011(92224)81418(27)251612645713(12)2820(215(16)17(21)26)2319(25)2914h4101516H3H212H3(H22126)b148
MFCD20760102
ZINC000071785089
ZINC000071785090
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