Vitas-M small molecule compound
(2E)-3-(4-ethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL053138
SMILES CCOc1ccc(cc1)/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/c1-3-20-11-6-4-10(5-7-11)8-12(13(18)19)21-14-15-9(2)16-17-14/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)/b12-8+InChIKey
IPCCUKFWPQKAQQ-XYOKQWHBSA-NSynonyms
(2E)3(4ethoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(4ETHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CCOC1=CC=C(C=C1)C=C(C(=O)O)SC2=NNC(=N2)C
CCOc1ccc(cc1)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC14H15N3O3Sc1320116410(5711)812(13(18)19)2114159(2)161714h48H3H212H3(H1819)(H151617)b128+
MFCD05735764
ZINC000017252662
ZINC17252662
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