Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-[(phenoxyacetyl)amino]-N-[6-(propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]alaninate

Catalog ID
STK571121
SMILES COC(=O)C(C(F)(F)F)(/N=c\1/sc2c([nH]1)ccc(c2)C(C)C)NC(=O)COc1ccccc1

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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 C22H22F3N3O4S MW 481.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O4S/c1-13(2)14-9-10-16-17(11-14)33-20(26-16)28-21(19(30)31-3,22(23,24)25)27-18(29)12-32-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,26,28)(H,27,29)
InChIKey
MHEODOLURDJDRT-UHFFFAOYSA-N
Synonyms
634166-92-0
CC(C)C1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)COC3=CC=CC=C3
COC(=O)C(C(F)(F)F)(N=c1sc2c((nH)1)ccc(c2)C(C)C)NC(=O)COc1ccccc1
InChI=1SC22H22F3N3O4Sc113(2)149101617(1114)3320(2616)2821(19(30)31322(2324)25)2718(29)1232157546815h41113H12H213H3(H2628)(H2729)
METHYL333TRIFLUORO2((2PHENOXYACETYL)AMINO)2((6PROPAN2YL13BENZOTHIAZOL2YL)AMINO)PROPANOATE
methyl333trifluoro2((phenoxyacetyl)amino)N(6(propan2yl)13benzothiazol2(3H)ylidene)alaninate
METHYL333TRIFLUORON(6(1METHYLETHYL)13BENZOTHIAZOL2YL)2((PHENOXYACETYL)AMINO)ALANINATE
MFCD07205183
ZINC000009215800
ZINC000009215802

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Available files

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