Vitas-M small molecule compound

2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]acetohydrazide

Catalog ID
STL337656
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2ccc3c(c2)cccc3)\C)nc2c(c1=O)cccc2

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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 C29H24N4O3S MW 508.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O3S/c1-19(21-12-11-20-7-3-4-8-22(20)17-21)31-32-27(34)18-37-29-30-26-10-6-5-9-25(26)28(35)33(29)23-13-15-24(36-2)16-14-23/h3-17H,18H2,1-2H3,(H,32,34)/b31-19+
InChIKey
JAQHBVBTNBANJT-ZCTHSVRISA-N
Synonyms
612828-66-7
(E)2((3(4methoxyphenyl)4oxo34dihydroquinazolin2yl)thio)N(1(naphthalen2yl)ethylidene)acetohydrazide
2((3(4methoxyphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N((1E)1(naphthalen2yl)ethylidene)acetohydrazide
2(3(4methoxyphenyl)4oxoquinazolin2yl)sulfanylN((E)1naphthalen2ylethylideneamino)acetamide
612828667
CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C4=CC5=CC=CC=C5C=C4
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccc3c(c2)cccc3)C)nc2c(c1=O)cccc2
InChI=1SC29H24N4O3Sc119(21121120734822(20)1721)313227(34)18372930261065925(26)28(35)33(29)23131524(362)161423h317H18H212H3(H3234)b3119+
MFCD03222645
N((1E)2(2NAPHTHYL)1AZAPROP1ENYL)2(3(4METHOXYPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
ZINC000009427879
ZINC33914807

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.