Vitas-M small molecule compound
3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)benzamide
Catalog ID
STK774887
SMILES N#Cc1cc2OCOc2cc1NC(=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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c22-13-16-11-19-20(29-14-28-19)12-18(16)23-21(25)15-6-5-7-17(10-15)30(26,27)24-8-3-1-2-4-9-24/h5-7,10-12H,1-4,8-9,14H2,(H,23,25)InChIKey
XDMCXOGTDKGKRD-UHFFFAOYSA-NSynonyms
3(azepan1ylsulfonyl)N(6cyano13benzodioxol5yl)benzamide
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3C#N)OCO4
InChI=1SC21H21N3O5Sc221316111920(29142819)1218(16)2321(25)1565717(1015)30(2627)2483124924h571012H148914H2(H2325)
MFCD04061451
ZINC000001421103
ZINC01421103
ZINC1421103
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