Vitas-M small molecule compound
(3Z)-3-[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STK982818
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\1/c3ccccc3N(C1=O)CC=C)/c2=O
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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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c1-3-5-15-32-17-12-10-16(11-13-17)22-26-25-29(27-22)24(31)21(33-25)20-18-8-6-7-9-19(18)28(14-4-2)23(20)30/h4,6-13H,2-3,5,14-15H2,1H3/b21-20-InChIKey
XJHQGVNXWKVSPJ-MRCUWXFGSA-NSynonyms
(3Z)3(2(4butoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)1(prop2en1yl)13dihydro2Hindol2one
(5Z)2(4BUTOXYPHENYL)5(2OXO1PROP2ENYLINDOL3YLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC=C)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=C1c3ccccc3N(C1=O)CC=C)c2=O
InChI=1SC25H22N4O3Sc135153217121016(111317)22262529(2722)24(31)21(3325)2018867919(18)28(1442)23(20)30h4613H2351415H21H3b2120
MFCD03497581
ZINC000001806368
ZINC01806368
ZINC1806368
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