Vitas-M small molecule compound

diethyl naphtho[2,3-d]bis[1,2,3]triazolo[5,1-b:1',5'-f][1,3,6]thiadiazepine-9,11-dicarboxylate

Catalog ID
STL438665
SMILES CCOC(=O)c1nnn2c1sc1c(nnn1c1c2cc2ccccc2c1)C(=O)OCC

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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 C20H16N6O4S MW 436.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O4S/c1-3-29-19(27)15-17-25(23-21-15)13-9-11-7-5-6-8-12(11)10-14(13)26-18(31-17)16(22-24-26)20(28)30-4-2/h5-10H,3-4H2,1-2H3
InChIKey
KDFIXVKLRIYNPM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C2N(C3=CC4=CC=CC=C4C=C3N5C(=C(N=N5)C(=O)OCC)S2)N=N1
diethylnaphtho(23d)bis(123)triazolo(51b15f)(136)thiadiazepine911dicarboxylate
InChI=1SC20H16N6O4Sc132919(27)151725(232115)13911756812(11)1014(13)2618(3117)16(222426)20(28)3042h510H34H212H3
MFCD06244674
ZINC000001409637

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Available files

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