Vitas-M small molecule compound
N,N'-bis[4-(trifluoromethyl)benzyl]bis[1,2,3]triazolo[1,5-a:5',1'-d][3,1,5]benzothiadiazepine-8,10-dicarboxamide
Catalog ID
STL437663
SMILES O=C(c1nnn2c1sc1c(nnn1c1c2cccc1)C(=O)NCc1ccc(cc1)C(F)(F)F)NCc1ccc(cc1)C(F)(F)F
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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 C28H18F6N8O2S MW 644.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18F6N8O2S/c29-27(30,31)17-9-5-15(6-10-17)13-35-23(43)21-25-41(39-37-21)19-3-1-2-4-20(19)42-26(45-25)22(38-40-42)24(44)36-14-16-7-11-18(12-8-16)28(32,33)34/h1-12H,13-14H2,(H,35,43)(H,36,44)InChIKey
BRBHJMNBFKDFTD-UHFFFAOYSA-NSynonyms
C1=CC=C2C(=C1)N3C(=C(N=N3)C(=O)NCC4=CC=C(C=C4)C(F)(F)F)SC5=C(N=NN25)C(=O)NCC6=CC=C(C=C6)C(F)(F)F
InChI=1SC28H18F6N8O2Sc2927(3031)179515(61017)133523(43)212541(393721)19312420(19)4226(4525)22(384042)24(44)36141671118(12816)28(3233)34h112H1314H2(H3543)(H3644)
MFCD06244705
NNbis(4(trifluoromethyl)benzyl)bis(123)triazolo(15a51d)(315)benzothiadiazepine810dicarboxamide
ZINC000150343878
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