Vitas-M small molecule compound

N-(1,3-benzothiazol-2-yl)-1,1,1,3,3,4,4,6,6,7,7,9,9,10,10,12-hexadecafluoro-12-(trifluoromethyl)-2,5,8,11-tetraoxatridecan-13-amide

Catalog ID
STK540063
SMILES O=C(C(C(F)(F)F)(OC(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Nc1sc2c(n1)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 C17H5F19N2O5S MW 710.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H5F19N2O5S/c18-9(10(19,20)21,7(39)38-8-37-5-3-1-2-4-6(5)44-8)40-11(22,23)12(24,25)41-13(26,27)14(28,29)42-15(30,31)16(32,33)43-17(34,35)36/h1-4H,(H,37,38,39)
InChIKey
GRYMHPIWCVUSQW-UHFFFAOYSA-N
Synonyms

(S)N(benzo(d)thiazol2yl)1113344667799101012hexadecafluoro12(trifluoromethyl)25811tetraoxatridecan13amidehydrate
C1=CC=C2C(=C1)N=C(S2)NC(=O)C(C(F)(F)F)(OC(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI=1SC17H5F19N2O5Sc189(10(1920)217(39)38837531246(5)448)4011(2223)12(2425)4113(2627)14(2829)4215(3031)16(3233)4317(3435)36h14H(H373839)
MFCD00493514
N(13benzothiazol2yl)1113344667799101012hexadecafluoro12(trifluoromethyl)25811tetraoxatridecan13amide
N(13benzothiazol2yl)2333tetrafluoro2(1122tetrafluoro2(1122tetrafluoro2(1122tetrafluoro2(trifluoromethoxy)ethoxy)ethoxy)ethoxy)propanamide
O=C(C(C(F)(F)F)(OC(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Nc1sc2c(n1)cccc2O
ZINC000150422052
ZINC000150422058

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.