Vitas-M small molecule compound

Catalog ID
STK613878
SMILES OCCNC(=O)[C@H](C(CC)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2

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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 C20H29N5O5S2 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N5O5S2/c1-3-13(2)17(20(28)21-9-12-26)22-19(27)14-7-10-25(11-8-14)32(29,30)16-6-4-5-15-18(16)24-31-23-15/h4-6,13-14,17,26H,3,7-12H2,1-2H3,(H,21,28)(H,22,27)/t13?,17-/m0/s1
InChIKey
PCTBGLXYZYJNDY-RUINGEJQSA-N
Synonyms
1014105-85-1
1(213benzothiadiazol4ylsulfonyl)N((2S)1(2hydroxyethylamino)3methyl1oxopentan2yl)piperidine4carboxamide
1(benzo(c)(125)thiadiazol4ylsulfonyl)N((2S3R)1((2hydroxyethyl)amino)3methyl1oxopentan2yl)piperidine4carboxamide
1014105851
CCC(C)C(C(=O)NCCO)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32
InChI=1SC20H29N5O5S2c1313(2)17(20(28)2191226)2219(27)1471025(11814)32(2930)166451518(16)24312315h4613141726H3712H212H3(H2128)(H2227)t13?17m0s1
OCCNC(=O)(C@H)(C(CC)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2
ZINC000009184299
ZINC000013626017

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.