Vitas-M small molecule compound

methyl (2Z)-2-(1-acetyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate

Catalog ID
STK067713
SMILES COC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)C)/S1)c1ccccc1

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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 C24H21NO3S3 MW 467.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO3S3/c1-14(26)25-17-13-9-8-12-16(17)18(21(29)24(25,2)3)23-30-19(15-10-6-5-7-11-15)20(31-23)22(27)28-4/h5-13H,1-4H3/b23-18-
InChIKey
LDESMALFVFKEIB-NKFKGCMQSA-N
Synonyms
330827-63-9
(Z)methyl2(1acetyl22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
330827639
CC(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C4=CC=CC=C4)C(=S)C1(C)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)C)S1)c1ccccc1
InChI=1SC24H21NO3S3c114(26)251713981216(17)18(21(29)24(252)3)233019(15106571115)20(3123)22(27)284h513H14H3b2318
METHYL(2Z)2(1ACETYL22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
METHYL(2Z)2(1ACETYL22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
METHYL2(1ACETYL22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5PHENYL13DITHIOLENE4CARBOXYLATE
METHYL2(1ACETYL22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
MFCD01561132
STK067713
ZINC000001782175
ZINC01782175
ZINC1782175

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Available files

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