Vitas-M small molecule compound

dimethyl 2-{1-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK069733
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)CSc1nc2c(o1)cccc2)(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 C29H26N2O7S4 MW 642.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O7S4/c1-6-37-15-11-12-18-16(13-15)21(27-41-22(25(33)35-4)23(42-27)26(34)36-5)24(39)29(2,3)31(18)20(32)14-40-28-30-17-9-7-8-10-19(17)38-28/h7-13H,6,14H2,1-5H3
InChIKey
RMOYGOHFEZDPFB-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CSC4=NC5=CC=CC=C5O4
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CSc1nc2c(o1)cccc2)(C)C
DIMETHYL2(1((13BENZOXAZOL2YLSULFANYL)ACETYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13BENZOXAZOL2YLSULFANYL)ACETYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(benzo(d)oxazol2ylthio)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H26N2O7S4c16371511121816(1315)21(274122(25(33)354)23(4227)26(34)365)24(39)29(23)31(18)20(32)14402830179781019(17)3828h713H614H215H3
METHYL2(1(2BENZOXAZOL2YLTHIOACETYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01171264
STK069733
ZINC000150440754
ZINC150440754

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Available files

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