Vitas-M small molecule compound
(2Z)-2-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK706627
SMILES CCCCOc1ccc(cc1Cl)c1nn(cc1/C=c/1\sc2n(c1=O)c1c(n2)cccc1)c1ccccc1
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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 C29H23ClN4O2S MW 527.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN4O2S/c1-2-3-15-36-25-14-13-19(16-22(25)30)27-20(18-33(32-27)21-9-5-4-6-10-21)17-26-28(35)34-24-12-8-7-11-23(24)31-29(34)37-26/h4-14,16-18H,2-3,15H2,1H3/b26-17-InChIKey
VGGOGAAFTLKQEK-ONUIUJJFSA-NSynonyms
1008880-78-1(2Z)2((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(2Z)2((3(4BUTOXY3CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(Z)2((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylene)benzo(45)imidazo(21b)thiazol3(2H)one
1008880781
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C5=CC=CC=C5N=C4S3)C6=CC=CC=C6)Cl
CCCCOc1ccc(cc1Cl)c1nn(cc1C=c1sc2n(c1=O)c1c(n2)cccc1)c1ccccc1
InChI=1SC29H23ClN4O2Sc123153625141319(1622(25)30)2720(1833(3227)2195461021)172628(35)342412871123(24)3129(34)3726h4141618H2315H21H3b2617
MFCD04005188
ZINC000101027115
ZINC101027115
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