Vitas-M small molecule compound
(2Z)-2-[3-methoxy-4-(3-methylbutoxy)benzylidene]-1-benzothiophen-3(2H)-one
Catalog ID
STK956822
SMILES COc1cc(ccc1OCCC(C)C)/C=C/1\Sc2c(C1=O)cccc2
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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 C21H22O3S MW 354.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22O3S/c1-14(2)10-11-24-17-9-8-15(12-18(17)23-3)13-20-21(22)16-6-4-5-7-19(16)25-20/h4-9,12-14H,10-11H2,1-3H3/b20-13-InChIKey
WCBHQLKRDUPTMO-MOSHPQCFSA-NSynonyms
6455-53-4(2Z)2((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLIDENE)1BENZOTHIOPHEN3ONE
(2Z)2(3methoxy4(3methylbutoxy)benzylidene)1benzothiophen3(2H)one
2((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLENE)BENZO(B)THIOPHEN3ONE
2(4(ISOPENTYLOXY)3METHOXYBENZYLIDENE)1BENZOTHIOPHEN3(2H)ONE
6455534
CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3S2)OC
COc1cc(ccc1OCCC(C)C)C=C1Sc2c(C1=O)cccc2
InChI=1SC21H22O3Sc114(2)101124179815(1218(17)233)132021(22)16645719(16)2520h491214H1011H213H3b2013
MFCD00851046
ZINC000017136172
ZINC17136172
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