Vitas-M small molecule compound

5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK091868
SMILES C=CCn1c(S)nnc1c1ccccc1[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 C11H10N4O2S MW 262.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N4O2S/c1-2-7-14-10(12-13-11(14)18)8-5-3-4-6-9(8)15(16)17/h2-6H,1,7H2,(H,13,18)
InChIKey
HCZVEZBCDCDJCM-UHFFFAOYSA-N
Synonyms

3(2NITROPHENYL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5(2NITROPHENYL)4H124TRIAZOLE3THIOL
5(2NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOLE3THIOL
C=CCN1C(=NNC1=S)C2=CC=CC=C2(N+)(=O)(O)
C=CCn1c(S)nnc1c1ccccc1(N+)(=O)(O)
InChI=1SC11H10N4O2Sc1271410(121311(14)18)853469(8)15(16)17h26H17H2(H1318)
MFCD01855055
STK091868
ZINC000005817022
ZINC5817022

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Available files

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