Vitas-M small molecule compound

methyl 4-{(Z)-[3-(2-{[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]amino}-2-oxoethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

Catalog ID
STK630612
SMILES COC(=O)c1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC(=O)N[C@@H]1CSC[C@@H]1O

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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 C18H18N2O5S3 MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S3/c1-25-17(24)11-4-2-10(3-5-11)6-14-16(23)20(18(26)28-14)7-15(22)19-12-8-27-9-13(12)21/h2-6,12-13,21H,7-9H2,1H3,(H,19,22)/b14-6-/t12-,13+/m1/s1
InChIKey
DMRPUMLLGCFCRV-QWXIZGFTSA-N
Synonyms
956381-86-5
956381865
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3CSCC3O
COC(=O)c1ccc(cc1)C=C1SC(=S)N(C1=O)CC(=O)N(C@@H)1CSC(C@@H)1O
InChI=1SC18H18N2O5S3c12517(24)114210(3511)61416(23)20(18(26)2814)715(22)1912827913(12)21h26121321H79H21H3(H1922)b146t1213+m1s1
methyl4((Z)(3(2(((3S4R)4hydroxytetrahydrothiophen3yl)amino)2oxoethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)benzoate
methyl4((Z)(3(2(((3S4R)4hydroxytetrahydrothiophen3yl)amino)2oxoethyl)4oxo2thioxothiazolidin5ylidene)methyl)benzoate
methyl4((Z)(3(2(((3S4R)4hydroxythiolan3yl)amino)2oxoethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)benzoate
MFCD18246524
ZINC000013656083
ZINC13656083

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Available files

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