Vitas-M small molecule compound

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

Catalog ID
STL337294
SMILES O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)N/N=C/c1ccc(cc1)C(C)(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 C28H28N4O2S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2S/c1-19-9-5-8-12-24(19)32-26(34)22-10-6-7-11-23(22)30-27(32)35-18-25(33)31-29-17-20-13-15-21(16-14-20)28(2,3)4/h5-17H,18H2,1-4H3,(H,31,33)/b29-17+
InChIKey
OEUFDWCFLGHRBJ-STBIYBPSSA-N
Synonyms
612811-28-6
(E)N(4(tertbutyl)benzylidene)2((4oxo3(otolyl)34dihydroquinazolin2yl)thio)acetohydrazide
612811286
CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H28N4O2Sc1199581224(19)3226(34)2210671123(22)3027(32)351825(33)31291720131521(161420)28(23)4h517H18H214H3(H3133)b2917+
MFCD03219035
N((1E)2(4(TERTBUTYL)PHENYL)1AZAVINYL)2(3(2METHYLPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
N((E)(4tertbutylphenyl)methylidene)2((3(2methylphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)acetohydrazide
N((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)2(3(2METHYLPHENYL)4OXOQUINAZOLIN2YL)SULFANYLACETAMIDE
O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)NN=Cc1ccc(cc1)C(C)(C)C
ZINC000002211468
ZINC33350508

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Available files

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