Vitas-M small molecule compound
dimethyl 2-{1-[(4-ethylphenoxy)acetyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK102614
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)COc2ccc(cc2)CC)/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 C29H29NO7S3 MW 599.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO7S3/c1-7-16-8-10-17(11-9-16)37-15-21(31)30-20-13-12-18(34-4)14-19(20)22(25(38)29(30,2)3)28-39-23(26(32)35-5)24(40-28)27(33)36-6/h8-14H,7,15H2,1-6H3InChIKey
RALVFHLTCVHRTD-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)OCC(=O)N2C3=C(C=C(C=C3)OC)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)COc2ccc(cc2)CC)S1)C(=O)OC
DIMETHYL2(1((4ETHYLPHENOXY)ACETYL)6METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(4ETHYLPHENOXY)ACETYL)6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(4ethylphenoxy)acetyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H29NO7S3c171681017(11916)371521(31)3020131218(344)1419(20)22(25(38)29(302)3)283923(26(32)355)24(4028)27(33)366h814H715H216H3
METHYL2(1(2(4ETHYLPHENOXY)ACETYL)6METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD03287784
ZINC000100116495
ZINC100116495
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