Vitas-M small molecule compound

2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide

Catalog ID
STL152050
SMILES CCCOc1ccc(cc1)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1C

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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-3-16-34-21-14-12-20(13-15-21)17-28-30-25(32)18-35-27-29-23-10-6-5-9-22(23)26(33)31(27)24-11-7-4-8-19(24)2/h4-15,17H,3,16,18H2,1-2H3,(H,30,32)/b28-17+
InChIKey
NBNKTCDGSNLGEU-OGLMXYFKSA-N
Synonyms
612811-64-0
(E)2((4oxo3(otolyl)34dihydroquinazolin2yl)thio)N(4propoxybenzylidene)acetohydrazide
2((3(2methylphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N((E)(4propoxyphenyl)methylidene)acetohydrazide
2(3(2METHYLPHENYL)4OXOQUINAZOLIN2YL)SULFANYLN((E)(4PROPOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
612811640
CCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C
CCCOc1ccc(cc1)C=NNC(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1C
InChI=1SC27H26N4O3Sc13163421141220(131521)17283025(32)18352729231065922(23)26(33)31(27)241174819(24)2h41517H31618H212H3(H3032)b2817+
MFCD03218964
N((1E)2(4PROPOXYPHENYL)1AZAVINYL)2(3(2METHYLPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
ZINC000002236487
ZINC33351311

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Available files

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