Vitas-M small molecule compound
3-[(5E)-5-(3-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]propanamide
Catalog ID
STK644761
SMILES O=C(N[C@@H]1CSC[C@@H]1O)CCN1C(=S)S/C(=C/c2cccc(c2)Cl)/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 C17H17ClN2O3S3 MW 428.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O3S3/c18-11-3-1-2-10(6-11)7-14-16(23)20(17(24)26-14)5-4-15(22)19-12-8-25-9-13(12)21/h1-3,6-7,12-13,21H,4-5,8-9H2,(H,19,22)/b14-7+/t12-,13+/m1/s1InChIKey
LPTHVJWTDZMISO-DNLHMGNTSA-NSynonyms
3((5E)5((3chlorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)N((3S4R)4hydroxythiolan3yl)propanamide
3((5E)5(3chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)N((3S4R)4hydroxytetrahydrothiophen3yl)propanamide
3((E)5(3chlorobenzylidene)4oxo2thioxothiazolidin3yl)N((3S4R)4hydroxytetrahydrothiophen3yl)propanamide
C1C(C(CS1)O)NC(=O)CCN2C(=O)C(=CC3=CC(=CC=C3)Cl)SC2=S
InChI=1SC17H17ClN2O3S3c181131210(611)71416(23)20(17(24)2614)5415(22)1912825913(12)21h1367121321H4589H2(H1922)b147+t1213+m1s1
MFCD18246747
O=C(N(C@@H)1CSC(C@@H)1O)CCN1C(=S)SC(=Cc2cccc(c2)Cl)C1=O
ZINC000012390684
ZINC12390684
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