Vitas-M small molecule compound
(2Z)-3-(4-methoxy-2-methylphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL054009
SMILES COc1ccc(c(c1)C)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C
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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/c1-8-6-11(20-3)5-4-10(8)7-12(13(18)19)21-14-15-9(2)16-17-14/h4-7H,1-3H3,(H,18,19)(H,15,16,17)/b12-7-InChIKey
UHCKXBGDAUQWBV-GHXNOFRVSA-NSynonyms
579440-63-4(2Z)3(4methoxy2methylphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(Z)3(4METHOXY2METHYLPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
579440634
CC1=C(C=CC(=C1)OC)C=C(C(=O)O)SC2=NNC(=N2)C
COc1ccc(c(c1)C)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC14H15N3O3Sc18611(203)5410(8)712(13(18)19)2114159(2)161714h47H13H3(H1819)(H151617)b127
MFCD05735633
ZINC000005957919
ZINC5957919
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