Vitas-M small molecule compound
(2E)-3-{2-[(4-chlorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL050528
SMILES Clc1ccc(cc1)COc1ccccc1/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 C19H16ClN3O3S MW 401.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O3S/c1-12-21-19(23-22-12)27-17(18(24)25)10-14-4-2-3-5-16(14)26-11-13-6-8-15(20)9-7-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/b17-10+InChIKey
OTMXJCFKXOZDOV-LICLKQGHSA-NSynonyms
578002-67-2(2E)3(2((4chlorobenzyl)oxy)phenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(2((4CHLOROPHENYL)METHOXY)PHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C(=O)O
Clc1ccc(cc1)COc1ccccc1C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC19H16ClN3O3Sc1122119(232212)2717(18(24)25)1014423516(14)2611136815(20)9713h210H11H21H3(H2425)(H212223)b1710+
MFCD05731368
ZINC5721352
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