Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
Catalog ID
STL035849
SMILES O=C(Nc1ccc2c(c1)OCO2)CCCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/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 C22H18N2O6S2 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O6S2/c25-20(23-14-4-6-16-18(10-14)30-12-28-16)2-1-7-24-21(26)19(32-22(24)31)9-13-3-5-15-17(8-13)29-11-27-15/h3-6,8-10H,1-2,7,11-12H2,(H,23,25)/b19-9+InChIKey
WJXTZICLZSQARG-DJKKODMXSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC22H18N2O6S2c2520(2314461618(1014)30122816)2172421(26)19(3222(24)31)913351517(813)29112715h36810H1271112H2(H2325)b199+
MFCD18192183
N(13benzodioxol5yl)4((5E)5(13benzodioxol5ylmethylidene)4oxo2sulfanylidene13thiazolidin3yl)butanamide
N(13benzodioxol5yl)4((5E)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)butanamide
O=C(Nc1ccc2c(c1)OCO2)CCCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000027530504
ZINC27530504
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