Vitas-M small molecule compound
methyl 3,3,3-trifluoro-2-{[(3-methoxyphenyl)carbonyl]amino}-N-[6-(propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]alaninate
Catalog ID
STK856439
SMILES COC(=O)C(C(F)(F)F)(/N=c\1/sc2c([nH]1)ccc(c2)C(C)C)NC(=O)c1cccc(c1)OC
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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/c1-12(2)13-8-9-16-17(11-13)33-20(26-16)28-21(19(30)32-4,22(23,24)25)27-18(29)14-6-5-7-15(10-14)31-3/h5-12H,1-4H3,(H,26,28)(H,27,29)InChIKey
ZVBJNBSLHFEGOW-UHFFFAOYSA-NSynonyms
524053-09-6524053096
CC(C)C1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC(=CC=C3)OC
COC(=O)C(C(F)(F)F)(N=c1sc2c((nH)1)ccc(c2)C(C)C)NC(=O)c1cccc(c1)OC
InChI=1SC22H22F3N3O4Sc112(2)13891617(1113)3320(2616)2821(19(30)32422(2324)25)2718(29)1465715(1014)313h512H14H3(H2628)(H2729)
methyl333trifluoro2(((3methoxyphenyl)carbonyl)amino)N(6(propan2yl)13benzothiazol2(3H)ylidene)alaninate
MFCD09789792
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