Vitas-M small molecule compound

1-[(4Z)-4-(4-acetyl-5-phenyl-1,3-dithiol-2-ylidene)-2,2,6-trimethyl-3-thioxo-3,4-dihydroquinolin-1(2H)-yl]-2-phenylethanone

Catalog ID
STK047382
SMILES Cc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)C)c1ccccc1)/C(=S)C(N2C(=O)Cc1ccccc1)(C)C

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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 C31H27NO2S3 MW 541.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO2S3/c1-19-15-16-24-23(17-19)26(30-36-27(20(2)33)28(37-30)22-13-9-6-10-14-22)29(35)31(3,4)32(24)25(34)18-21-11-7-5-8-12-21/h5-17H,18H2,1-4H3/b30-26+
InChIKey
LYNOYOXWMKJAJA-URGPHPNLSA-N
Synonyms

(Z)1(4(4acetyl5phenyl13dithiol2ylidene)226trimethyl3thioxo34dihydroquinolin1(2H)yl)2phenylethanone
1((4Z)4(4ACETYL5PHENYL13DITHIOL2YLIDENE)226TRIMETHYL3SULFANYLIDENEQUINOLIN1YL)2PHENYLETHANONE
1((4Z)4(4ACETYL5PHENYL13DITHIOL2YLIDENE)226TRIMETHYL3THIOXO34DIHYDROQUINOLIN1(2H)YL)2PHENYLETHANONE
1(5PHENYL2(226TRIMETHYL1(PHENYLACETYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOL4YL)ETHANONE
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)C)C4=CC=CC=C4)(C)C)C(=O)CC5=CC=CC=C5
Cc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)C)c1ccccc1)C(=S)C(N2C(=O)Cc1ccccc1)(C)C
InChI=1SC31H27NO2S3c11915162423(1719)26(303627(20(2)33)28(3730)221396101422)29(35)31(34)32(24)25(34)1821117581221h517H18H214H3b3026+
MFCD01975603
STK047382
ZINC000002183600
ZINC02183600
ZINC2183600

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Available files

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