Vitas-M small molecule compound
4-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate
Catalog ID
STK822146
SMILES O=C(Oc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC1CCCO1)/C=C/c1ccc(cc1)C(C)(C)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 C28H29NO4S2 MW 507.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO4S2/c1-28(2,3)21-11-6-19(7-12-21)10-15-25(30)33-22-13-8-20(9-14-22)17-24-26(31)29(27(34)35-24)18-23-5-4-16-32-23/h6-15,17,23H,4-5,16,18H2,1-3H3/b15-10+,24-17-InChIKey
OKPAGJWDVDUDSV-SVCWRFAMSA-NSynonyms
(4((Z)(4oxo3(oxolan2ylmethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)(E)3(4tertbutylphenyl)prop2enoate
4((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl(2E)3(4tertbutylphenyl)prop2enoate
CC(C)(C)C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4CCCO4
InChI=1SC28H29NO4S2c128(23)2111619(71221)101525(30)332213820(91422)172426(31)29(27(34)3524)182354163223h6151723H451618H213H3b1510+2417
MFCD01458044
O=C(Oc1ccc(cc1)C=C1SC(=S)N(C1=O)CC1CCCO1)C=Cc1ccc(cc1)C(C)(C)C
ZINC000027015562
ZINC000027015568
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