Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK570732
SMILES Clc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1[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 C19H14ClN9O4S MW 499.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClN9O4S/c20-12-5-7-13(8-6-12)34-10-15-16(23-27-28(15)18-17(21)25-33-26-18)19(30)24-22-9-11-3-1-2-4-14(11)29(31)32/h1-9H,10H2,(H2,21,25)(H,24,30)/b22-9+
InChIKey
VTDGCRAVCYAPQN-LSFURLLWSA-N
Synonyms
714947-65-6
(E)1(4amino125oxadiazol3yl)5(((4chlorophenyl)thio)methyl)N(2nitrobenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(((4chlorophenyl)sulfanyl)methyl)N((E)(2nitrophenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5((4CHLOROPHENYL)SULFANYLMETHYL)N((E)(2NITROPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
714947656
C1=CC=C(C(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)NN=Cc1ccccc1(N+)(=O)(O)
InChI=1SC19H14ClN9O4Sc20125713(8612)34101516(232728(15)1817(21)25332618)19(30)2422911312414(11)29(31)32h19H10H2(H22125)(H2430)b229+
MFCD05683586
ZINC000001900608
ZINC33345889

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Available files

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