Vitas-M small molecule compound

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

Catalog ID
STL003350
SMILES O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)N/N=C/c1cccc(c1)Oc1ccccc1

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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 C29H21ClN4O3S MW 541.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN4O3S/c30-21-13-15-22(16-14-21)34-28(36)25-11-4-5-12-26(25)32-29(34)38-19-27(35)33-31-18-20-7-6-10-24(17-20)37-23-8-2-1-3-9-23/h1-18H,19H2,(H,33,35)/b31-18+
InChIKey
JXJQPYQWCGBVRH-FDAWAROLSA-N
Synonyms
612829-62-6
(E)2((3(4chlorophenyl)4oxo34dihydroquinazolin2yl)thio)N(3phenoxybenzylidene)acetohydrazide
2((3(4chlorophenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N((E)(3phenoxyphenyl)methylidene)acetohydrazide
2(3(4CHLOROPHENYL)4OXOQUINAZOLIN2YL)SULFANYLN((E)(3PHENOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
612829626
C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl
InChI=1SC29H21ClN4O3Sc3021131522(161421)3428(36)2511451226(25)3229(34)381927(35)33311820761024(1720)37238213923h118H19H2(H3335)b3118+
MFCD03218026
N((1E)2(3PHENOXYPHENYL)1AZAVINYL)2(3(4CHLOROPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)NN=Cc1cccc(c1)Oc1ccccc1
ZINC000002236019
ZINC103079108

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Available files

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