Vitas-M small molecule compound

Catalog ID
STK625464
SMILES CCC([C@@H](C(=O)OC)NC(=O)N1CCC(CC1)c1nc2c(s1)cccc2)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 C20H27N3O3S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S/c1-4-13(2)17(19(24)26-3)22-20(25)23-11-9-14(10-12-23)18-21-15-7-5-6-8-16(15)27-18/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,22,25)/t13?,17-/m0/s1
InChIKey
CJJUBXQHWLHSMO-RUINGEJQSA-N
Synonyms
956943-79-6
(2S3R)methyl2(4(benzo(d)thiazol2yl)piperidine1carboxamido)3methylpentanoate
956943796
CCC((C@@H)(C(=O)OC)NC(=O)N1CCC(CC1)c1nc2c(s1)cccc2)C
CCC(C)C(C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2
InChI=1SC20H27N3O3Sc1413(2)17(19(24)263)2220(25)2311914(101223)182115756816(15)2718h58131417H4912H213H3(H2225)t13?17m0s1
methyl(2S)2((4(13benzothiazol2yl)piperidine1carbonyl)amino)3methylpentanoate
ZINC000009052955
ZINC000013550253

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Available files

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