Vitas-M small molecule compound

(2Z)-3-(2-methoxynaphthalen-1-yl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate

Catalog ID
STL053696
SMILES COc1ccc2c(c1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)cccc2

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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 C17H15N3O3S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S/c1-10-18-17(20-19-10)24-15(16(21)22)9-13-12-6-4-3-5-11(12)7-8-14(13)23-2/h3-9H,1-2H3,(H,21,22)(H,18,19,20)/b15-9-
InChIKey
UEMHZXNYXQMWLD-DHDCSXOGSA-N
Synonyms
741278-82-0
(2Z)3(2methoxynaphthalen1yl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(Z)3(2METHOXYNAPHTHALEN1YL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
741278820
CC1=NC(=NN1)SC(=CC2=C(C=CC3=CC=CC=C32)OC)C(=O)O
COc1ccc2c(c1C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C)cccc2
InChI=1SC17H15N3O3Sc1101817(201910)2415(16(21)22)91312643511(12)7814(13)232h39H12H3(H2122)(H181920)b159
MFCD05732408
ZINC000005025704
ZINC5025704

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Available files

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