Vitas-M small molecule compound
{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Catalog ID
STL052641
SMILES C=CCn1c(COc2ccccc2)n[nH+]c1SCC(=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 C14H15N3O3S MW 305.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O3S/c1-2-8-17-12(9-20-11-6-4-3-5-7-11)15-16-14(17)21-10-13(18)19/h2-7H,1,8-10H2,(H,18,19)InChIKey
KOJLXPJHGWYWPR-UHFFFAOYSA-NSynonyms
307327-57-7((5(phenoxymethyl)4(prop2en1yl)4H124triazol2ium3yl)sulfanyl)acetate
(4ALLYL5PHENOXYMETHYL4H(124)TRIAZOL3YLSULFANYL)ACETICACID
2((5(PHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2((5(PHENOXYMETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETICACID
2((5(PHENOXYMETHYL)4PROP2ENYL1H124TRIAZOL4IUM3YL)SULFANYL)ACETATE
2(5(PHENOXYMETHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETICACID
307327577
C=CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC=C2
C=CCn1c(COc2ccccc2)n(nH+)c1SCC(=O)(O)
InChI=1SC14H15N3O3Sc1281712(920116435711)151614(17)211013(18)19h27H1810H2(H1819)
MFCD01166516
ZINC000100556856
ZINC100556856
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