Vitas-M small molecule compound
[(4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Catalog ID
STK532056
SMILES CCCc1nnc(n1/N=C/c1ccc2c(c1)OCO2)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 C15H16N4O4S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O4S/c1-2-3-13-17-18-15(24-8-14(20)21)19(13)16-7-10-4-5-11-12(6-10)23-9-22-11/h4-7H,2-3,8-9H2,1H3,(H,20,21)/b16-7+InChIKey
OWEYTUHKEGDCQX-FRKPEAEDSA-NSynonyms
325996-50-7((4(((E)13benzodioxol5ylmethylidene)amino)5propyl4H124triazol3yl)sulfanyl)aceticacid
(E)2((4((benzo(d)(13)dioxol5ylmethylene)amino)5propyl4H124triazol3yl)thio)aceticacid
2((4((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)5PROPYL124TRIAZOL3YL)SULFANYL)ACETICACID
325996507
CCCC1=NN=C(N1N=CC2=CC3=C(C=C2)OCO3)SCC(=O)O
CCCc1nnc(n1N=Cc1ccc2c(c1)OCO2)SCC(=O)O
InChI=1SC15H16N4O4Sc12313171815(24814(20)21)19(13)16710451112(610)2392211h47H2389H21H3(H2021)b167+
MFCD01952005
ZINC000000502493
ZINC13110423
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