Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STK314298
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccc(o1)Cn1ncc(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 C17H15N9O5S MW 457.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N9O5S/c1-30-16(27)15-4-5-23(22-15)11-32-17-21-18-10-25(17)20-7-13-2-3-14(31-13)9-24-8-12(6-19-24)26(28)29/h2-8,10H,9,11H2,1H3/b20-7+InChIKey
QXAUMWJYVWYRGD-IFRROFPPSA-NSynonyms
1005643-31-11005643311
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=CC=C(O3)CN4C=C(C=N4)(N+)(=O)(O)
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccc(o1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC17H15N9O5Sc13016(27)154523(2215)11321721181025(17)207132314(3113)924812(61924)26(28)29h2810H911H21H3b207+
methyl1(((4(((E)(5((4nitro1Hpyrazol1yl)methyl)furan2yl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(5((4nitropyrazol1yl)methyl)furan2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667648
ZINC000002733689
ZINC97469331
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