Vitas-M small molecule compound

3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STK147459
SMILES C=CCn1c(SCc2ccccc2Cl)nnc1c1ccc(cc1)[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 C18H15ClN4O2S MW 386.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O2S/c1-2-11-22-17(13-7-9-15(10-8-13)23(24)25)20-21-18(22)26-12-14-5-3-4-6-16(14)19/h2-10H,1,11-12H2
InChIKey
HLSCNMLXNSPESW-UHFFFAOYSA-N
Synonyms

3((2CHLOROBENZYL)SULFANYL)5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOLE
3((2CHLOROPHENYL)METHYLSULFANYL)5(4NITROPHENYL)4PROP2ENYL124TRIAZOLE
C=CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(SCc2ccccc2Cl)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H15ClN4O2Sc12112217(137915(10813)23(24)25)202118(22)261214534616(14)19h210H11112H2
MFCD04405028
ZINC000001142456
ZINC01142456
ZINC1142456

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Available files

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