Vitas-M small molecule compound

2-chloro-6-ethoxy-4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-(acetylamino)benzenesulfonate

Catalog ID
STL383058
SMILES CCOc1cc(/C=C/2\SC(=N)NC2=O)cc(c1OS(=O)(=O)c1ccc(cc1)NC(=O)C)Cl

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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 C20H18ClN3O6S2 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O6S2/c1-3-29-16-9-12(10-17-19(26)24-20(22)31-17)8-15(21)18(16)30-32(27,28)14-6-4-13(5-7-14)23-11(2)25/h4-10H,3H2,1-2H3,(H,23,25)(H2,22,24,26)/b17-10-
InChIKey
BAGAEMHTDSYVCL-YVLHZVERSA-N
Synonyms

(4((Z)(2AMINO4OXO13THIAZOL5YLIDENE)METHYL)2CHLORO6ETHOXYPHENYL)4ACETAMIDOBENZENESULFONATE
2CHLORO6ETHOXY4((2IMINO4OXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL4(ACETYLAMINO)BENZENESULFONATE
2chloro6ethoxy4((Z)(2imino4oxo13thiazolidin5ylidene)methyl)phenyl4(acetylamino)benzenesulfonate
CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Cl)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C
CCOc1cc(C=C2SC(=N)NC2=O)cc(c1OS(=O)(=O)c1ccc(cc1)NC(=O)C)Cl
InChI=1SC20H18ClN3O6S2c132916912(101719(26)2420(22)3117)815(21)18(16)3032(2728)146413(5714)2311(2)25h410H3H212H3(H2325)(H2222426)b1710
MFCD02892690
ZINC000016213680
ZINC16213680

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Available files

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