Vitas-M small molecule compound
(2Z)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STL401998
SMILES O=c1/c(=C/c2c(C)nn(c2C)c2ccccc2)/sc2=NC3(CC(n12)c1ccccc1O3)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 C25H22N4O2S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S/c1-15-19(16(2)29(27-15)17-9-5-4-6-10-17)13-22-23(30)28-20-14-25(3,26-24(28)32-22)31-21-12-8-7-11-18(20)21/h4-13,20H,14H2,1-3H3/b22-13-InChIKey
ZJHMWQDOOHFRHJ-XKZIYDEJSA-NSynonyms
1005693-03-7(2Z)2((35dimethyl1phenyl1Hpyrazol4yl)methylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1005693037
CC1=C(C(=NN1C2=CC=CC=C2)C)C=C3C(=O)N4C5CC(N=C4S3)(OC6=CC=CC=C56)C
InChI=1SC25H22N4O2Sc11519(16(2)29(2715)1795461017)132223(30)28201425(32624(28)3222)312112871118(20)21h41320H14H213H3b2213
MFCD04052510
O=c1c(=Cc2c(C)nn(c2C)c2ccccc2)sc2=NC3(CC(n12)c1ccccc1O3)C
ZINC000002800096
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