Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STL401952
SMILES COc1nn(cc1[N+](=O)[O-])CCc1nnc(s1)Nc1ccn(n1)Cc1c(F)cccc1Cl
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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 C18H16ClFN8O3S MW 478.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClFN8O3S/c1-31-17-14(28(29)30)10-27(25-17)8-6-16-22-23-18(32-16)21-15-5-7-26(24-15)9-11-12(19)3-2-4-13(11)20/h2-5,7,10H,6,8-9H2,1H3,(H,21,23,24)InChIKey
DPOOLHRGYKOACF-UHFFFAOYSA-NSynonyms
1005667-75-31005667753
COC1=NN(C=C1(N+)(=O)(O))CCC2=NN=C(S2)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F
COc1nn(cc1(N+)(=O)(O))CCc1nnc(s1)Nc1ccn(n1)Cc1c(F)cccc1Cl
InChI=1SC18H16ClFN8O3Sc1311714(28(29)30)1027(2517)8616222318(3216)21155726(2415)91112(19)32413(11)20h25710H689H21H3(H212324)
MFCD04140513
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5(2(3methoxy4nitropyrazol1yl)ethyl)134thiadiazol2amine
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)5(2(3methoxy4nitro1Hpyrazol1yl)ethyl)134thiadiazol2amine
ZINC000002731331
ZINC02731331
ZINC2731331
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