Vitas-M small molecule compound
(2E)-2-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK816125
SMILES O=c1/c(=C\c2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)/sc2n1c1ccccc1n2
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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 C27H18N4O3S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N4O3S/c32-26-24(35-27-28-20-8-4-5-9-21(20)31(26)27)15-18-16-30(19-6-2-1-3-7-19)29-25(18)17-10-11-22-23(14-17)34-13-12-33-22/h1-11,14-16H,12-13H2/b24-15+InChIKey
HSNAEFGAFYROFB-BUVRLJJBSA-NSynonyms
(2E)2((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(2E)2((3(23dihydro14benzodioxin6yl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32a)benzimidazol1one
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C6=CC=CC=C6N=C5S4)C7=CC=CC=C7
InChI=1SC27H18N4O3Sc322624(35272820845921(20)31(26)27)15181630(196213719)2925(18)1710112223(1417)3413123322h1111416H1213H2b2415+
MFCD04445990
O=c1c(=Cc2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)sc2n1c1ccccc1n2
ZINC000016805629
ZINC16805629
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