Vitas-M small molecule compound
(2Z)-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-carboxamide
Catalog ID
STL181729
SMILES NC(=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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-10-11(9-24(3)23-10)8-14-18(27)25-16-12-6-4-5-7-13(12)28-20(2,15(16)17(21)26)22-19(25)29-14/h4-9,15-16H,1-3H3,(H2,21,26)/b14-8-InChIKey
VUHNTVCWGNPQSQ-ZSOIEALJSA-NSynonyms
1263038-39-6(2Z)2((13dimethyl1Hpyrazol4yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxamide
1263038396
CC1=NN(C=C1C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)N)C
InChI=1SC20H19N5O3Sc11011(924(3)2310)81418(27)251612645713(12)2820(215(16)17(21)26)2219(25)2914h491516H13H3(H22126)b148
MFCD20760103
NC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2cn(nc2C)C)s1
ZINC000071785091
ZINC000071785092
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