Vitas-M small molecule compound

N-{[2-(4-butylphenyl)-6-chloro-2H-benzotriazol-5-yl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Catalog ID
STK236557
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)Cl)NC(=S)NC(=O)c1ccc2c(c1)OCCO2

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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 C26H24ClN5O3S MW 522.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN5O3S/c1-2-3-4-16-5-8-18(9-6-16)32-30-21-14-19(27)20(15-22(21)31-32)28-26(36)29-25(33)17-7-10-23-24(13-17)35-12-11-34-23/h5-10,13-15H,2-4,11-12H2,1H3,(H2,28,29,33,36)
InChIKey
ZGNLVOIMMXEEFS-UHFFFAOYSA-N
Synonyms

2H3HBENZO(34E)14DIOXAN6YLN(((2(4BUTYLPHENYL)6CHLORO(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC26H24ClN5O3Sc1234165818(9616)3230211419(27)20(1522(21)3132)2826(36)2925(33)177102324(1317)3512113423h5101315H241112H21H3(H228293336)
MFCD04966616
N((2(4butylphenyl)6chloro2Hbenzotriazol5yl)carbamothioyl)23dihydro14benzodioxine6carboxamide
N((2(4BUTYLPHENYL)6CHLOROBENZOTRIAZOL5YL)CARBAMOTHIOYL)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
ZINC000008920716
ZINC08920716
ZINC8920716

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Available files

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