Vitas-M small molecule compound

2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-(azepan-1-ylsulfonyl)benzoate

Catalog ID
STK755182
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1cccc(c1)S(=O)(=O)N1CCCCCC1

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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 C26H26N4O4S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4S/c1-19-13-14-25(24(17-19)30-27-22-11-4-5-12-23(22)28-30)34-26(31)20-9-8-10-21(18-20)35(32,33)29-15-6-2-3-7-16-29/h4-5,8-14,17-18H,2-3,6-7,15-16H2,1H3
InChIKey
HLXXLOOVCCVEGP-UHFFFAOYSA-N
Synonyms

(2(BENZOTRIAZOL2YL)4METHYLPHENYL)3(AZEPAN1YLSULFONYL)BENZOATE
2(2Hbenzotriazol2yl)4methylphenyl3(azepan1ylsulfonyl)benzoate
3(AZEPANE1SULFONYL)BENZOICACID2BENZOTRIAZOL2YL4METHYLPHENYLESTER
CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4N=C5C=CC=CC5=N4
InChI=1SC26H26N4O4Sc119131425(24(1719)30272211451223(22)2830)3426(31)20981021(1820)35(3233)291562371629h458141718H23671516H21H3
MFCD00827445
ZINC000000837484
ZINC00837484
ZINC837484

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Available files

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