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Vitas-M small molecule compound

diethyl 9'-ethoxy-5',5'-dimethyl-6'-(phenylcarbonyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate

Catalog ID
STK086091
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccccc2)(C)C)SC(=CC21SC=C(S2)C(=O)OCC)C(=O)OCC

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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 C31H31NO6S3 MW 609.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6S3/c1-6-36-20-14-15-22-21(16-20)25-26(30(4,5)32(22)27(33)19-12-10-9-11-13-19)40-23(28(34)37-7-2)17-31(25)39-18-24(41-31)29(35)38-8-3/h9-18H,6-8H2,1-5H3
InChIKey
YJDJVSPXWHPDQY-UHFFFAOYSA-N
Synonyms
332043-63-7
332043637
CCOC1=CC2=C(C=C1)N(C(C3=C2C4(C=C(S3)C(=O)OCC)SC=C(S4)C(=O)OCC)(C)C)C(=O)C5=CC=CC=C5
CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccccc2)(C)C)SC(=CC21SC=C(S2)C(=O)OCC)C(=O)OCC
diethyl6benzoyl9ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)34dicarboxylate
DIETHYL6BENZOYL9ETHOXY55DIMETHYL56DIHYDROSPIRO(13DITHIOLE21(1H)THIOPYRANO(23C)QUINOLINE)34DICARBOXYLATE
DIETHYL6BENZOYL9ETHOXY55DIMETHYLSPIRO(13DITHIOLE21THIOPYRANO(23C)QUINOLINE)34DICARBOXYLATE
DIETHYL9ETHOXY55DIMETHYL6(PHENYLCARBONYL)56DIHYDROSPIRO(13DITHIOLE21THIOPYRANO(23C)QUINOLINE)34DICARBOXYLATE
InChI=1SC31H31NO6S3c16362014152221(1620)2526(30(45)32(22)27(33)1912109111319)4023(28(34)3772)1731(25)391824(4131)29(35)3883h918H68H215H3
MFCD01363174
STK086091
ZINC000006631061
ZINC000006631062

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Available files

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