Vitas-M small molecule compound
2-methoxy-4-{(E)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methyl-1-benzofuran-2-carboxylate
Catalog ID
STK592446
SMILES COCCCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OC(=O)c2oc3c(c2C)cccc3)/C1=O
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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 C25H23NO6S2 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO6S2/c1-15-17-7-4-5-8-18(17)31-22(15)24(28)32-19-10-9-16(13-20(19)30-3)14-21-23(27)26(25(33)34-21)11-6-12-29-2/h4-5,7-10,13-14H,6,11-12H2,1-3H3/b21-14+InChIKey
PJFNQFZFSSTQBF-KGENOOAVSA-NSynonyms
381712-05-6(2METHOXY4((E)(3(3METHOXYPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3METHYL1BENZOFURAN2CARBOXYLATE
(E)2methoxy4((3(3methoxypropyl)4oxo2thioxothiazolidin5ylidene)methyl)phenyl3methylbenzofuran2carboxylate
2methoxy4((E)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3methyl1benzofuran2carboxylate
381712056
CC1=C(OC2=CC=CC=C12)C(=O)OC3=C(C=C(C=C3)C=C4C(=O)N(C(=S)S4)CCCOC)OC
COCCCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC(=O)c2oc3c(c2C)cccc3)C1=O
InChI=1SC25H23NO6S2c11517745818(17)3122(15)24(28)321910916(1320(19)303)142123(27)26(25(33)3421)11612292h457101314H61112H213H3b2114+
MFCD02998610
ZINC000002444593
ZINC02444593
ZINC2444593
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