Vitas-M small molecule compound
dimethyl 2-{1-[(4-tert-butylphenyl)carbonyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789192
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C(C)(C)C)/S1)C(=O)OC
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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 C30H31NO5S3 MW 581.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO5S3/c1-16-9-14-20-19(15-16)21(28-38-22(26(33)35-7)23(39-28)27(34)36-8)24(37)30(5,6)31(20)25(32)17-10-12-18(13-11-17)29(2,3)4/h9-15H,1-8H3InChIKey
PLBMYGHDNCNKSO-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)C(C)(C)C
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C(C)(C)C)S1)C(=O)OC
dimethyl2(1((4tertbutylphenyl)carbonyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(4(tertbutyl)benzoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(4TERTBUTYLBENZOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(4TERTBUTYLBENZOYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC30H31NO5S3c1169142019(1516)21(283822(26(33)357)23(3928)27(34)368)24(37)30(56)31(20)25(32)17101218(131117)29(23)4h915H18H3
METHYL2(1((4(TERTBUTYL)PHENYL)CARBONYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00980228
ZINC000008396978
ZINC08396978
ZINC8396978
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