Vitas-M small molecule compound
methyl 3,3,3-trifluoro-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-N-[(4-methylphenyl)carbonyl]alaninate
Catalog ID
STK545585
SMILES COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1)C)Nc1nc2c(s1)cccc2C
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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 C20H18F3N3O3S MW 437.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N3O3S/c1-11-7-9-13(10-8-11)16(27)25-19(17(28)29-3,20(21,22)23)26-18-24-15-12(2)5-4-6-14(15)30-18/h4-10H,1-3H3,(H,24,26)(H,25,27)InChIKey
DTVMUTPAYGFGTR-UHFFFAOYSA-NSynonyms
488086-67-5(S)methyl333trifluoro2(4methylbenzamido)2((4methylbenzo(d)thiazol2yl)amino)propanoate
488086675
CC1=CC=C(C=C1)C(=O)NC(C(=O)OC)(C(F)(F)F)NC2=NC3=C(C=CC=C3S2)C
InChI=1SC20H18F3N3O3Sc1117913(10811)16(27)2519(17(28)29320(2122)23)2618241512(2)54614(15)3018h410H13H3(H2426)(H2527)
METHYL333TRIFLUORO2((4METHYL13BENZOTHIAZOL2YL)AMINO)2((4METHYLBENZOYL)AMINO)PROPANOATE
methyl333trifluoro2((4methyl13benzothiazol2yl)amino)N((4methylphenyl)carbonyl)alaninate
MFCD03067247
ZINC000009090035
ZINC000009090036
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