Vitas-M small molecule compound
(2E)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL040743
SMILES COc1cc(ccc1OCc1ccccc1Cl)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C20H18ClN3O4S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O4S/c1-12-22-20(24-23-12)29-18(19(25)26)10-13-7-8-16(17(9-13)27-2)28-11-14-5-3-4-6-15(14)21/h3-10H,11H2,1-2H3,(H,25,26)(H,22,23,24)/b18-10+InChIKey
PSTKUBVASLWVKF-VCHYOVAHSA-NSynonyms
(2E)3(4((2chlorobenzyl)oxy)3methoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC)C(=O)O
COc1cc(ccc1OCc1ccccc1Cl)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC20H18ClN3O4Sc1122220(242312)2918(19(25)26)10137816(17(913)272)281114534615(14)21h310H11H212H3(H2526)(H222324)b1810+
MFCD05733475
ZINC000001272603
ZINC1272603
Check stock
See real-time availability and sample size for STL040743 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.