Vitas-M small molecule compound

2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

Catalog ID
STK205784
SMILES C=CCn1c(SCC(=O)c2ccccc2)nnc1c1cccc(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 C19H16N4O3S MW 380.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O3S/c1-2-11-22-18(15-9-6-10-16(12-15)23(25)26)20-21-19(22)27-13-17(24)14-7-4-3-5-8-14/h2-10,12H,1,11,13H2
InChIKey
OHJWVSFIZIQJRB-UHFFFAOYSA-N
Synonyms

2((5(3NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(3NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)(N+)(=O)(O)
C=CCn1c(SCC(=O)c2ccccc2)nnc1c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H16N4O3Sc12112218(15961016(1215)23(25)26)202119(22)271317(24)147435814h21012H11113H2
MFCD04402790
ZINC000002859492
ZINC02859492
ZINC2859492

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Available files

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