Vitas-M small molecule compound

methyl N-{[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl}-L-valinate

Catalog ID
STK657214
SMILES COC(=O)[C@H](C(C)C)NC(=O)N1CCCC(C1)c1nc2c(s1)cccc2

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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/c1-12(2)16(18(23)25-3)21-19(24)22-10-6-7-13(11-22)17-20-14-8-4-5-9-15(14)26-17/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,21,24)/t13?,16-/m0/s1
InChIKey
AGNVPZYBVZENFO-VYIIXAMBSA-N
Synonyms
1212491-96-7
(2S)methyl2(3(benzo(d)thiazol2yl)piperidine1carboxamido)3methylbutanoate
1212491967
CC(C)C(C(=O)OC)NC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2
COC(=O)(C@H)(C(C)C)NC(=O)N1CCCC(C1)c1nc2c(s1)cccc2
InChI=1SC19H25N3O3Sc112(2)16(18(23)253)2119(24)22106713(1122)172014845915(14)2617h4589121316H671011H213H3(H2124)t13?16m0s1
methyl(2S)2((3(13benzothiazol2yl)piperidine1carbonyl)amino)3methylbutanoate
METHYLN((3(13BENZOTHIAZOL2YL)PIPERIDIN1YL)CARBONYL)LVALINATE
MFCD18167956
ZINC000032074828
ZINC000032074830

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Available files

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