Vitas-M small molecule compound
3-[(3S)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
Catalog ID
STK938006
SMILES O=C(Nc1nc2c(s1)cc(cc2)OC(F)(F)F)CC[C@@H]1NC(=O)c2c(N=C1O)cccc2
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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 C20H15F3N4O4S MW 464.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N4O4S/c21-20(22,23)31-10-5-6-13-15(9-10)32-19(26-13)27-16(28)8-7-14-18(30)24-12-4-2-1-3-11(12)17(29)25-14/h1-6,9,14H,7-8H2,(H,24,30)(H,25,29)(H,26,27,28)/t14-/m0/s1InChIKey
RQCOQKYTAAGNIB-AWEZNQCLSA-NSynonyms
1246046-27-41246046274
3((3S)25dioxo34dihydro1H14benzodiazepin3yl)N(6(trifluoromethoxy)13benzothiazol2yl)propanamide
3((3S)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N(6(trifluoromethoxy)13benzothiazol2yl)propanamide
C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F
InChI=1SC20H15F3N4O4Sc2120(2223)3110561315(910)3219(2613)2716(28)871418(30)2412421311(12)17(29)2514h16914H78H2(H2430)(H2529)(H262728)t14m0s1
MFCD18178836
O=C(Nc1nc2c(s1)cc(cc2)OC(F)(F)F)CC(C@@H)1NC(=O)c2c(N=C1O)cccc2
ZINC000044903335
ZINC44903335
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