Vitas-M small molecule compound

2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone

Catalog ID
STK125133
SMILES CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)N

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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 C18H17N5O3S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O3S/c1-2-22-17(13-3-7-14(19)8-4-13)20-21-18(22)27-11-16(24)12-5-9-15(10-6-12)23(25)26/h3-10H,2,11,19H2,1H3
InChIKey
QZJGZAFVJPZTIR-UHFFFAOYSA-N
Synonyms

2((5(4AMINOPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((5(4AMINOPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)N
CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)N
InChI=1SC18H17N5O3Sc122217(133714(19)8413)202118(22)271116(24)125915(10612)23(25)26h310H21119H21H3
MFCD03878299
ZINC000004676582
ZINC04676582
ZINC4676582

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Available files

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