Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704075
SMILES COc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)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 C29H21N5O4S MW 535.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O4S/c1-36-21-13-11-18(12-14-21)26-19(16-33(31-26)20-7-3-2-4-8-20)15-25-28(35)34-29(39-25)30-27(32-34)24-17-37-22-9-5-6-10-23(22)38-24/h2-16,24H,17H2,1H3/b25-15-InChIKey
PIJODMXPJPSZBL-MYYYXRDXSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23DIHYDRO14BENZODIOXIN3YL)5((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5COC6=CC=CC=C6O5)S3)C7=CC=CC=C7
COc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)c1ccccc1
InChI=1SC29H21N5O4Sc13621131118(121421)2619(1633(3126)207324820)152528(35)3429(3925)3027(3234)241737229561023(22)3824h21624H17H21H3b2515
MFCD03534386
ZINC000033353995
ZINC000033353999
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