Vitas-M small molecule compound

Catalog ID
STL009165
SMILES CCC([C@@H](C(=O)NC1CC1)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)C

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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 C21H30FN3O4S MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30FN3O4S/c1-3-14(2)19(21(27)23-17-8-9-17)24-20(26)15-5-4-12-25(13-15)30(28,29)18-10-6-16(22)7-11-18/h6-7,10-11,14-15,17,19H,3-5,8-9,12-13H2,1-2H3,(H,23,27)(H,24,26)/t14?,15?,19-/m0/s1
InChIKey
SKGXHZJSNNRIGR-ZOJXTTQQSA-N
Synonyms
1014404-03-5
1014404035
CCC((C@@H)(C(=O)NC1CC1)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)C
CCC(C)C(C(=O)NC1CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F
InChI=1SC21H30FN3O4Sc1314(2)19(21(27)23178917)2420(26)15541225(1315)30(2829)1810616(22)71118h67101114151719H35891213H212H3(H2327)(H2426)t14?15?19m0s1
N((2S)1(cyclopropylamino)3methyl1oxopentan2yl)1(4fluorophenyl)sulfonylpiperidine3carboxamide
N((2S3R)1(cyclopropylamino)3methyl1oxopentan2yl)1((4fluorophenyl)sulfonyl)piperidine3carboxamide
ZINC000009341484
ZINC000013627863

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Available files

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