Vitas-M small molecule compound
{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL058078
SMILES OC(=O)CSc1nnc(n1N)c1n[nH]c(c1)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 C13H12N6O2S MW 316.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N6O2S/c14-19-12(17-18-13(19)22-7-11(20)21)10-6-9(15-16-10)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,16)(H,20,21)InChIKey
ZDLBQAXTWFTHSE-UHFFFAOYSA-NSynonyms
879452-98-9((4AMINO5(5PHENYL1HPYRAZOL3YL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2((4AMINO5(3PHENYL1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)ACETICACID
2((4amino5(3phenyl1Hpyrazol5yl)4H124triazol3yl)thio)aceticacid
2(4AMINO5(3PHENYLPYRAZOL5YL)124TRIAZOL3YLTHIO)ACETICACID
879452989
C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)O
InChI=1SC13H12N6O2Sc141912(171813(19)22711(20)21)1069(151610)8421358h16H714H2(H1516)(H2021)
MFCD07200714
OC(=O)CSc1nnc(n1N)c1(nH)nc(c1)c1ccccc1
OC(=O)CSc1nnc(n1N)c1n(nH)c(c1)c1ccccc1
ZINC000009109949
ZINC9109949
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