Vitas-M small molecule compound
N-[(E)-(4-bromo-5-ethylthiophen-2-yl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL392460
SMILES CCc1sc(cc1Br)/C=N/n1c(nnc1C)SCn1nc(c(c1C)[N+](=O)[O-])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 C16H18BrN7O2S2 MW 484.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN7O2S2/c1-5-14-13(17)6-12(28-14)7-18-23-11(4)19-20-16(23)27-8-22-10(3)15(24(25)26)9(2)21-22/h6-7H,5,8H2,1-4H3/b18-7+InChIKey
KVRNYQVNPFDZQT-CNHKJKLMSA-NSynonyms
1005615-69-9(E)1(4bromo5ethylthiophen2yl)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)methanimine
1005615699
CCC1=C(C=C(S1)C=NN2C(=NN=C2SCN3C(=C(C(=N3)C)(N+)(=O)(O))C)C)Br
CCc1sc(cc1Br)C=Nn1c(nnc1C)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC16H18BrN7O2S2c151413(17)612(2814)7182311(4)192016(23)2782210(3)15(24(25)26)9(2)2122h67H58H214H3b187+
MFCD05667590
N((E)(4bromo5ethylthiophen2yl)methylidene)3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5methyl4H124triazol4amine
ZINC000002733594
ZINC101585357
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