Vitas-M small molecule compound

methyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-N-1,3-thiazol-2-ylalaninate

Catalog ID
STK784437
SMILES CCOC(=O)NC(C(F)(F)F)(C(=O)OC)Nc1nccs1

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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 C10H12F3N3O4S MW 327.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12F3N3O4S/c1-3-20-8(18)16-9(6(17)19-2,10(11,12)13)15-7-14-4-5-21-7/h4-5H,3H2,1-2H3,(H,14,15)(H,16,18)
InChIKey
IVXVNDKZBKDPOE-UHFFFAOYSA-N
Synonyms

CCOC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC=CS1
InChI=1SC10H12F3N3O4Sc13208(18)169(6(17)19210(1112)13)1571445217h45H3H212H3(H1415)(H1618)
methyl2((ethoxycarbonyl)amino)333trifluoroN13thiazol2ylalaninate
METHYL2(ETHOXYCARBONYLAMINO)333TRIFLUORO2(13THIAZOL2YLAMINO)PROPANOATE
MFCD07022287
ZINC000004770021
ZINC000004770022

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Available files

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