Vitas-M small molecule compound
ethyl N-(6-ethoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Catalog ID
STK641705
SMILES CCOC(=O)NC(C(F)(F)F)(C(=O)OCC)/N=c\1/sc2c([nH]1)ccc(c2)OCC
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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 C17H20F3N3O5S MW 435.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20F3N3O5S/c1-4-26-10-7-8-11-12(9-10)29-14(21-11)22-16(17(18,19)20,13(24)27-5-2)23-15(25)28-6-3/h7-9H,4-6H2,1-3H3,(H,21,22)(H,23,25)InChIKey
ZHZBBMLWTPTIMU-UHFFFAOYSA-NSynonyms
371937-50-7371937507
CCOC(=O)NC(C(F)(F)F)(C(=O)OCC)N=c1sc2c((nH)1)ccc(c2)OCC
CCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OCC)(C(F)(F)F)NC(=O)OCC
ETHYL2((6ETHOXY13BENZOTHIAZOL2YL)AMINO)2(ETHOXYCARBONYLAMINO)333TRIFLUOROPROPANOATE
ethylN(6ethoxy13benzothiazol2(3H)ylidene)2((ethoxycarbonyl)amino)333trifluoroalaninate
InChI=1SC17H20F3N3O5Sc142610781112(910)2914(2111)2216(17(1819)2013(24)2752)2315(25)2863h79H46H213H3(H2122)(H2325)
MFCD18162728
ZINC000013756343
ZINC000013756345
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