Vitas-M small molecule compound

2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-(7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl)ethanone

Catalog ID
STL482679
SMILES O=C(N1c2cc3OCCOc3cc2C(=CC1(C)C)C)CSc1nnnn1c1ccccc1

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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 C23H23N5O3S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O3S/c1-15-13-23(2,3)27(18-12-20-19(11-17(15)18)30-9-10-31-20)21(29)14-32-22-24-25-26-28(22)16-7-5-4-6-8-16/h4-8,11-13H,9-10,14H2,1-3H3
InChIKey
VJZABEBHOOAYPL-UHFFFAOYSA-N
Synonyms

2((1phenyl1Htetrazol5yl)sulfanyl)1(779trimethyl23dihydro(14)dioxino(23g)quinolin6(7H)yl)ethanone
2(1phenyltetrazol5yl)sulfanyl1(779trimethyl23dihydro(14)dioxino(23g)quinolin6yl)ethanone
CC1=CC(N(C2=CC3=C(C=C12)OCCO3)C(=O)CSC4=NN=NN4C5=CC=CC=C5)(C)C
InChI=1SC23H23N5O3Sc1151323(23)27(18122019(1117(15)18)309103120)21(29)14322224252628(22)167546816h481113H91014H213H3
MFCD30713384
ZINC000334161165

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Available files

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