Vitas-M small molecule compound
4-{[5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrobenzaldehyde
Catalog ID
STL369942
SMILES O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nnc([nH]1)c1ccc(cc1Cl)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 C15H8Cl2N4O3S MW 395.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H8Cl2N4O3S/c16-9-2-3-10(11(17)6-9)14-18-15(20-19-14)25-13-4-1-8(7-22)5-12(13)21(23)24/h1-7H,(H,18,19,20)InChIKey
HGTMHPSQPBRRNB-UHFFFAOYSA-NSynonyms
4((5(24DICHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)3NITROBENZALDEHYDE
4((5(24dichlorophenyl)4H124triazol3yl)sulfanyl)3nitrobenzaldehyde
C1=CC(=C(C=C1C=O)(N+)(=O)(O))SC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC15H8Cl2N4O3Sc1692310(11(17)69)141815(201914)2513418(722)512(13)21(23)24h17H(H181920)
MFCD03996336
O=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nnc((nH)1)c1ccc(cc1Cl)Cl
ZINC000006057542
ZINC6057542
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