Vitas-M small molecule compound
2-[(4-Benzothiazol-2-yl-piperidine-1-carbonyl)-amino]-3-methyl-pentanoic acid
Catalog ID
STK621959
SMILES CCC([C@@H](C(=O)O)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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-3-12(2)16(18(23)24)21-19(25)22-10-8-13(9-11-22)17-20-14-6-4-5-7-15(14)26-17/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,21,25)(H,23,24)/t12?,16-/m0/s1InChIKey
BOBGXNFJZLYCIE-INSVYWFGSA-NSynonyms
956189-35-8(2S)2((4(13benzothiazol2yl)piperidine1carbonyl)amino)3methylpentanoicacid
(2S3R)2(4(benzo(d)thiazol2yl)piperidine1carboxamido)3methylpentanoicacid
956189358
CCC((C@@H)(C(=O)O)NC(=O)N1CCC(CC1)c1nc2c(s1)cccc2)C
CCC(C)C(C(=O)O)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2
InChI=1SC19H25N3O3Sc1312(2)16(18(23)24)2119(25)2210813(91122)172014645715(14)2617h47121316H3811H212H3(H2125)(H2324)t12?16m0s1
ZINC000009054169
ZINC000013681746
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