Vitas-M small molecule compound
(2Z)-3-{4-[(4-fluorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STK567520
SMILES Fc1ccc(cc1)COc1ccc(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 C19H16FN3O3S MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16FN3O3S/c1-12-21-19(23-22-12)27-17(18(24)25)10-13-4-8-16(9-5-13)26-11-14-2-6-15(20)7-3-14/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/b17-10-InChIKey
ZKDNVFHBNUEBEX-YVLHZVERSA-NSynonyms
842968-43-8(2Z)3(4((4fluorobenzyl)oxy)phenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(Z)3(4((4FLUOROPHENYL)METHOXY)PHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
842968438
CC1=NC(=NN1)SC(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O
Fc1ccc(cc1)COc1ccc(cc1)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC19H16FN3O3Sc1122119(232212)2717(18(24)25)10134816(9513)2611142615(20)7314h210H11H21H3(H2425)(H212223)b1710
MFCD05726673
ZINC000009288714
ZINC9288714
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