Vitas-M small molecule compound

4-{(1E)-1-[2-({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate

Catalog ID
STL338035
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2ccc(cc2)OC(=O)C)\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 C27H24N4O5S MW 516.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5S/c1-17(19-8-12-22(13-9-19)36-18(2)32)29-30-25(33)16-37-27-28-24-7-5-4-6-23(24)26(34)31(27)20-10-14-21(35-3)15-11-20/h4-15H,16H2,1-3H3,(H,30,33)/b29-17+
InChIKey
KAXGNEBGZDVRQS-STBIYBPSSA-N
Synonyms
612828-69-0
(4((E)N((2(3(4methoxyphenyl)4oxoquinazolin2yl)sulfanylacetyl)amino)Cmethylcarbonimidoyl)phenyl)acetate
(E)4(1(2(2((3(4methoxyphenyl)4oxo34dihydroquinazolin2yl)thio)acetyl)hydrazono)ethyl)phenylacetate
4((1E)1(2(((3(4methoxyphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenylacetate
4((1E)2(2(3(4METHOXYPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETYLAMINO)1METHYL2AZAVINYL)PHENYLACETATE
612828690
CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC(=O)C
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccc(cc2)OC(=O)C)C)nc2c(c1=O)cccc2
InChI=1SC27H24N4O5Sc117(1981222(13919)3618(2)32)293025(33)1637272824754623(24)26(34)31(27)20101421(353)151120h415H16H213H3(H3033)b2917+
MFCD03222648
ZINC000008564948
ZINC1478380

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Available files

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