Vitas-M small molecule compound
methyl 2-[bis(propan-2-yloxy)phosphoryl]-N-(6-chloro-1,3-benzothiazol-2(3H)-ylidene)-3,3,3-trifluoroalaninate
Catalog ID
STK623738
SMILES COC(=O)C(P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)/N=c\1/sc2c([nH]1)ccc(c2)Cl
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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 C17H21ClF3N2O5PS MW 488.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClF3N2O5PS/c1-9(2)27-29(25,28-10(3)4)16(14(24)26-5,17(19,20)21)23-15-22-12-7-6-11(18)8-13(12)30-15/h6-10H,1-5H3,(H,22,23)InChIKey
YKJOJACQXFLITD-UHFFFAOYSA-NSynonyms
CC(C)OP(=O)(C(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)Cl)OC(C)C
COC(=O)C(P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)N=c1sc2c((nH)1)ccc(c2)Cl
InChI=1SC17H21ClF3N2O5PSc19(2)2729(252810(3)4)16(14(24)26517(1920)21)231522127611(18)813(12)3015h610H15H3(H2223)
methyl2((6chloro13benzothiazol2yl)amino)2di(propan2yloxy)phosphoryl333trifluoropropanoate
methyl2(bis(propan2yloxy)phosphoryl)N(6chloro13benzothiazol2(3H)ylidene)333trifluoroalaninate
MFCD09792634
ZINC000013570574
ZINC000013570576
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