Vitas-M small molecule compound
(3Z)-1-butyl-3-{2-[4-(2-methylpropoxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one
Catalog ID
STK812607
SMILES CCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(n3)c2ccc(cc2)OCC(C)C)/C1=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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-4-5-14-29-20-9-7-6-8-19(20)21(24(29)31)22-25(32)30-26(34-22)27-23(28-30)17-10-12-18(13-11-17)33-15-16(2)3/h6-13,16H,4-5,14-15H2,1-3H3/b22-21-InChIKey
ZGWOVQQPOICENT-DQRAZIAOSA-NSynonyms
(3Z)1butyl3(2(4(2methylpropoxy)phenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1butyl2oxoindol3ylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6one
CCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC(C)C)S3)C1=O
CCCCN1c2ccccc2C(=c2sc3n(c2=O)nc(n3)c2ccc(cc2)OCC(C)C)C1=O
InChI=1SC26H26N4O3Sc145142920976819(20)21(24(29)31)2225(32)3026(3422)2723(2830)17101218(131117)331516(2)3h61316H451415H213H3b2221
MFCD06265037
ZINC000016728990
ZINC16728990
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