Vitas-M small molecule compound

2-[(2-chlorobenzyl)sulfanyl]-9-(4-hydroxy-3-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK235091
SMILES COc1cc(ccc1O)C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1ccccc1Cl

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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 C23H21ClN4O3S MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O3S/c1-31-19-11-13(9-10-17(19)29)21-20-16(7-4-8-18(20)30)25-22-26-23(27-28(21)22)32-12-14-5-2-3-6-15(14)24/h2-3,5-6,9-11,21,29H,4,7-8,12H2,1H3,(H,25,26,27)
InChIKey
COKPFIWQSIJDFJ-UHFFFAOYSA-N
Synonyms
727402-66-6
2((2chlorobenzyl)sulfanyl)9(4hydroxy3methoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorobenzyl)thio)9(4hydroxy3methoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorophenyl)methylsulfanyl)9(4hydroxy3methoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
727402666
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5Cl)O
InChI=1SC23H21ClN4O3Sc131191113(91017(19)29)212016(74818(20)30)25222623(2728(21)22)321214523615(14)24h23569112129H47812H21H3(H252627)
MFCD06193139
ZINC000001282973
ZINC000001282974

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Available files

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