Vitas-M small molecule compound
methyl 1-({[4-({(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Catalog ID
STK313856
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1cccn1c1cccc(c1)[N+](=O)[O-]
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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 C19H16N8O4S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N8O4S/c1-31-18(28)17-7-9-24(23-17)13-32-19-22-20-12-26(19)21-11-16-6-3-8-25(16)14-4-2-5-15(10-14)27(29)30/h2-12H,13H2,1H3/b21-11+InChIKey
ABAPRJNBZJLXEV-SRZZPIQSSA-NSynonyms
1005578-19-71005578197
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=CC=CN3C4=CC(=CC=C4)(N+)(=O)(O)
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1cccn1c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H16N8O4Sc13118(28)177924(2317)13321922201226(19)21111663825(16)1442515(1014)27(29)30h212H13H21H3b2111+
methyl1(((4(((E)(1(3nitrophenyl)1Hpyrrol2yl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(1(3nitrophenyl)pyrrol2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667510
ZINC000002733128
ZINC97469323
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