Vitas-M small molecule compound
ethyl 2-(3-{(Z)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK157108
SMILES C=CCN1C(=O)S/C(=C\c2cc(n(c2C)c2sc3c(c2C(=O)OCC)CCCC3)C)/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 C24H26N2O4S2 MW 470.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O4S2/c1-5-11-25-21(27)19(32-24(25)29)13-16-12-14(3)26(15(16)4)22-20(23(28)30-6-2)17-9-7-8-10-18(17)31-22/h5,12-13H,1,6-11H2,2-4H3/b19-13-InChIKey
RHTCVFKSKPNACI-UYRXBGFRSA-NSynonyms
C=CCN1C(=O)SC(=Cc2cc(n(c2C)c2sc3c(c2C(=O)OCC)CCCC3)C)C1=O
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)N(C(=O)S4)CC=C)C
ethyl2(3((Z)(24dioxo3(prop2en1yl)13thiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((Z)(24dioxo3prop2enyl13thiazolidin5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H26N2O4S2c15112521(27)19(3224(25)29)13161214(3)26(15(16)4)2220(23(28)3062)179781018(17)3122h51213H1611H224H3b1913
MFCD03228214
ZINC000009311621
ZINC09311621
ZINC9311621
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