Vitas-M small molecule compound
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Catalog ID
STL419428
SMILES O=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)CSc1nnc(s1)C
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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 C16H16F3N5O3S2 MW 447.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3N5O3S2/c1-10-20-21-15(29-10)28-9-14(25)23-6-4-22(5-7-23)12-3-2-11(16(17,18)19)8-13(12)24(26)27/h2-3,8H,4-7,9H2,1H3InChIKey
YDASKBUGGUKRHQ-UHFFFAOYSA-NSynonyms
2((5methyl134thiadiazol2yl)sulfanyl)1(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)ethanone
CC1=NN=C(S1)SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
InChI=1SC16H16F3N5O3S2c110202115(2910)28914(25)236422(5723)123211(16(1718)19)813(12)24(26)27h238H479H21H3
MFCD06633342
O=C(N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)CSc1nnc(s1)C
ZINC000016475028
ZINC16475028
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