Vitas-M small molecule compound
(2E)-3-(3-methoxy-4-{2-[(4-methylbenzyl)sulfanyl]ethoxy}phenyl)prop-2-enoic acid
Catalog ID
STL368070
SMILES COc1cc(/C=C/C(=O)O)ccc1OCCSCc1ccc(cc1)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 C20H22O4S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22O4S/c1-15-3-5-17(6-4-15)14-25-12-11-24-18-9-7-16(8-10-20(21)22)13-19(18)23-2/h3-10,13H,11-12,14H2,1-2H3,(H,21,22)/b10-8+InChIKey
PFYVFUORNHWNIP-CSKARUKUSA-NSynonyms
1266397-80-1(2E)3(3methoxy4(2((4methylbenzyl)sulfanyl)ethoxy)phenyl)prop2enoicacid
(E)3(3methoxy4(2((4methylphenyl)methylsulfanyl)ethoxy)phenyl)prop2enoicacid
1266397801
CC1=CC=C(C=C1)CSCCOC2=C(C=C(C=C2)C=CC(=O)O)OC
COc1cc(C=CC(=O)O)ccc1OCCSCc1ccc(cc1)C
InChI=1SC20H22O4Sc1153517(6415)1425121124189716(81020(21)22)1319(18)232h31013H111214H212H3(H2122)b108+
MFCD27966432
ZINC000096193965
ZINC96193965
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