Vitas-M small molecule compound

methyl N-{[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]carbonyl}-beta-alaninate

Catalog ID
STL424402
SMILES COC(=O)CCNC(=O)c1nc(sc1CC(C)C)Cl

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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 C12H17ClN2O3S MW 304.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17ClN2O3S/c1-7(2)6-8-10(15-12(13)19-8)11(17)14-5-4-9(16)18-3/h7H,4-6H2,1-3H3,(H,14,17)
InChIKey
BSSXLUGJNFPHLE-UHFFFAOYSA-N
Synonyms
1676069-11-6
1676069116
CC(C)CC1=C(N=C(S1)Cl)C(=O)NCCC(=O)OC
InChI=1SC12H17ClN2O3Sc17(2)6810(1512(13)198)11(17)14549(16)183h7H46H213H3(H1417)
methyl3((2chloro5(2methylpropyl)13thiazole4carbonyl)amino)propanoate
methyl3(2chloro5isobutylthiazole4carboxamido)propanoate
methylN((2chloro5(2methylpropyl)13thiazol4yl)carbonyl)betaalaninate
MFCD28987286
ZINC000218614603
ZINC218614603

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Available files

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