Vitas-M small molecule compound
(2E)-13-acetyl-2-[(1-ethyl-3-methyl-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
STL397626
SMILES CCn1nc(c(c1)/C=c\1/sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)C)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-5-25-11-14(12(2)24-25)10-17-20(28)26-19-15-8-6-7-9-16(15)29-22(4,18(19)13(3)27)23-21(26)30-17/h6-11,18-19H,5H2,1-4H3/b17-10+InChIKey
SOBALLGPMFYLMM-LICLKQGHSA-NSynonyms
1025584-59-1(2E)13ACETYL2((1ETHYL3METHYL1HPYRAZOL4YL)METHYLIDENE)5METHYL5H11H511METHANO(13)THIAZOLO(23D)(135)BENZOXADIAZOCIN1(2H)ONE
1025584591
CCN1C=C(C(=N1)C)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)C
CCn1nc(c(c1)C=c1sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)C)C
InChI=1SC22H22N4O3Sc15251114(12(2)2425)101720(28)261915867916(15)2922(418(19)13(3)27)2321(26)3017h6111819H5H214H3b1710+
MFCD04048788
ZINC000017093135
ZINC000035657427
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