Vitas-M small molecule compound
(2Z)-3-(2,4-dichlorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL050744
SMILES Clc1ccc(c(c1)Cl)/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 C12H9Cl2N3O2S MW 330.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9Cl2N3O2S/c1-6-15-12(17-16-6)20-10(11(18)19)4-7-2-3-8(13)5-9(7)14/h2-5H,1H3,(H,18,19)(H,15,16,17)/b10-4-InChIKey
IPEIKLNFWLMKOI-WMZJFQQLSA-NSynonyms
740814-95-3(2Z)3(24dichlorophenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(Z)3(24DICHLOROPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
740814953
CC1=NC(=NN1)SC(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)O
Clc1ccc(c(c1)Cl)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC12H9Cl2N3O2Sc161512(17166)2010(11(18)19)47238(13)59(7)14h25H1H3(H1819)(H151617)b104
MFCD05729643
ZINC000006129873
ZINC6129873
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