Vitas-M small molecule compound
ethyl (2Z)-2-{1-[(3-methoxyphenyl)carbonyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK320602
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)OC)/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 C32H29NO4S3 MW 587.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO4S3/c1-6-37-30(35)27-26(20-11-8-7-9-12-20)39-31(40-27)25-23-17-19(2)15-16-24(23)33(32(3,4)28(25)38)29(34)21-13-10-14-22(18-21)36-5/h7-18H,6H2,1-5H3/b31-25-InChIKey
DTEQCRBOHYRTSZ-GDWJVWIDSA-NSynonyms
354550-18-8(Z)ethyl2(1(3methoxybenzoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
354550188
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)OC)S1)C5=CC=CC=C5
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)OC)S1)c1ccccc1
ethyl(2Z)2(1((3methoxyphenyl)carbonyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
ETHYL(2Z)2(1(3METHOXYBENZOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ETHYL2(1(3METHOXYBENZOYL)226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC32H29NO4S3c163730(35)2726(20118791220)3931(4027)25231719(2)151624(23)33(32(34)28(25)38)29(34)2113101422(1821)365h718H6H215H3b3125
MFCD01171526
ZINC000002095738
ZINC02095738
ZINC2095738
Check stock
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Check stock on Vitas-MAvailable files
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