Vitas-M small molecule compound
{[4-ammonio-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STL054492
SMILES COc1cccc(c1)c1nnc(n1[NH3+])SCC(=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 C11H12N4O3S MW 280.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N4O3S/c1-18-8-4-2-3-7(5-8)10-13-14-11(15(10)12)19-6-9(16)17/h2-5H,6,12H2,1H3,(H,16,17)InChIKey
BAMJGEKPNBIPGF-UHFFFAOYSA-NSynonyms
723322-83-6((4ammonio5(3methoxyphenyl)4H124triazol3yl)sulfanyl)acetate
2((4AMINO5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETICACID
2((4AZANIUMYL5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETATE
723322836
COC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)O
COc1cccc(c1)c1nnc(n1(NH3+))SCC(=O)(O)
InChI=1SC11H12N4O3Sc11884237(58)10131411(15(10)12)1969(16)17h25H612H21H3(H1617)
MFCD04016468
ZINC000000527691
ZINC527691
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