Vitas-M small molecule compound
3-[(4-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK122466
SMILES C=CCn1c(nnc1c1ccc(cc1)[N+](=O)[O-])SCc1ccc(cc1)Cl
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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 C18H15ClN4O2S MW 386.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O2S/c1-2-11-22-17(14-5-9-16(10-6-14)23(24)25)20-21-18(22)26-12-13-3-7-15(19)8-4-13/h2-10H,1,11-12H2InChIKey
YFDPZASEUUAZOH-UHFFFAOYSA-NSynonyms
3((4CHLOROBENZYL)SULFANYL)5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOLE
3((4CHLOROPHENYL)METHYLSULFANYL)5(4NITROPHENYL)4PROP2ENYL124TRIAZOLE
C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(nnc1c1ccc(cc1)(N+)(=O)(O))SCc1ccc(cc1)Cl
InChI=1SC18H15ClN4O2Sc12112217(145916(10614)23(24)25)202118(22)2612133715(19)8413h210H11112H2
MFCD04371110
ZINC000004698937
ZINC04698937
ZINC4698937
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