Vitas-M small molecule compound

dimethyl (2Z)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]but-2-enedioate

Catalog ID
STL436682
SMILES COC(=O)/C(=C/C(=O)OC)/Sc1nncc(n1)c1ccccc1

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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 C15H13N3O4S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4S/c1-21-13(19)8-12(14(20)22-2)23-15-17-11(9-16-18-15)10-6-4-3-5-7-10/h3-9H,1-2H3/b12-8-
InChIKey
TUSWJTLTVJNPTE-WQLSENKSSA-N
Synonyms

COC(=O)C(=CC(=O)OC)Sc1nncc(n1)c1ccccc1
COC(=O)C=C(C(=O)OC)SC1=NC(=CN=N1)C2=CC=CC=C2
dimethyl(2Z)2((5phenyl124triazin3yl)sulfanyl)but2enedioate
dimethyl(Z)2((5phenyl124triazin3yl)sulfanyl)but2enedioate
InChI=1SC15H13N3O4Sc12113(19)812(14(20)222)23151711(9161815)106435710h39H12H3b128
MFCD06242777
ZINC000004468994
ZINC4468994

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Available files

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