Vitas-M small molecule compound

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

Catalog ID
STL308014
SMILES O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)N/N=C(/c1ccc(cc1)OC(=O)C)\C

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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 C26H21ClN4O4S MW 521.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O4S/c1-16(18-7-13-21(14-8-18)35-17(2)32)29-30-24(33)15-36-26-28-23-6-4-3-5-22(23)25(34)31(26)20-11-9-19(27)10-12-20/h3-14H,15H2,1-2H3,(H,30,33)/b29-16+
InChIKey
QYDHAPULRBYCJU-MUFRIFMGSA-N
Synonyms
497823-22-0
(4((E)N((2(3(4chlorophenyl)4oxoquinazolin2yl)sulfanylacetyl)amino)Cmethylcarbonimidoyl)phenyl)acetate
(E)4(1(2(2((3(4chlorophenyl)4oxo34dihydroquinazolin2yl)thio)acetyl)hydrazono)ethyl)phenylacetate
4((1E)1(2(((3(4chlorophenyl)4oxo34dihydroquinazolin2yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenylacetate
4((1E)2(2(3(4CHLOROPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETYLAMINO)1METHYL2AZAVINYL)PHENYLACETATE
497823220
CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC(=O)C
InChI=1SC26H21ClN4O4Sc116(1871321(14818)3517(2)32)293024(33)1536262823643522(23)25(34)31(26)2011919(27)101220h314H15H212H3(H3033)b2916+
MFCD03222736
O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)NN=C(c1ccc(cc1)OC(=O)C)C
ZINC000013689484
ZINC34795483

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Available files

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