Vitas-M small molecule compound
(2Z)-2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-N-(2-methylphenyl)-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
Catalog ID
STK309324
SMILES CCn1ncc(c1)/C=c/1\sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)Nc1ccccc1C)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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-4-31-15-17(14-28-31)13-21-25(34)32-23-18-10-6-8-12-20(18)35-27(3,30-26(32)36-21)22(23)24(33)29-19-11-7-5-9-16(19)2/h5-15,22-23H,4H2,1-3H3,(H,29,33)/b21-13-InChIKey
IWRKXQLLBURSTF-BKUYFWCQSA-NSynonyms
1025568-82-4(2Z)2((1ethyl1Hpyrazol4yl)methylidene)5methylN(2methylphenyl)1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxamide
1025568824
CCN1C=C(C=N1)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)NC6=CC=CC=C6C
CCn1ncc(c1)C=c1sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)Nc1ccccc1C)C
InChI=1SC27H25N5O3Sc14311517(142831)132125(34)32231810681220(18)3527(33026(32)3621)22(23)24(33)29191175916(19)2h5152223H4H213H3(H2933)b2113
MFCD04052495
ZINC000002800343
ZINC000013959977
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