Vitas-M small molecule compound
(2Z)-3-{3-[(4-chlorobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STK134982
SMILES Clc1ccc(cc1)COc1cccc(c1)/C=C(/C(=O)O)\Sc1nnc([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)10-14-3-2-4-16(9-14)26-11-13-5-7-15(20)8-6-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/b17-10-InChIKey
NOQPIWMLWXNCMA-YVLHZVERSA-NSynonyms
757196-77-3(2Z)3(3((4CHLOROBENZYL)OXY)PHENYL)2((3METHYL1H124TRIAZOL4IUM5YL)SULFANYL)PROP2ENOATE
(2Z)3(3((4CHLOROBENZYL)OXY)PHENYL)2((5METHYL4H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
(Z)3(3((4chlorobenzyl)oxy)phenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
(Z)3(3((4CHLOROPHENYL)METHOXY)PHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC(=CC=C2)OCC3=CC=C(C=C3)Cl)C(=O)O
Clc1ccc(cc1)COc1cccc(c1)C=C(C(=O)O)Sc1nnc((nH)1)C
InChI=1SC19H16ClN3O3Sc1122119(232212)2717(18(24)25)101432416(914)2611135715(20)8613h210H11H21H3(H2425)(H212223)b1710
MFCD04016977
ZINC6129889
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