Vitas-M small molecule compound
tetramethyl 6'-[(4-tert-butylphenyl)carbonyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK136083
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccc(cc2)C(C)(C)C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)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 C37H39NO10S3 MW 753.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39NO10S3/c1-11-48-21-16-17-23-22(18-21)24-29(36(5,6)38(23)30(39)19-12-14-20(15-13-19)35(2,3)4)49-26(32(41)45-8)25(31(40)44-7)37(24)50-27(33(42)46-9)28(51-37)34(43)47-10/h12-18H,11H2,1-10H3InChIKey
AADTWBVJNFRQGF-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC37H39NO10S3c111482116172322(1821)2429(36(56)38(23)30(39)19121420(151319)35(23)4)4926(32(41)458)25(31(40)447)37(24)5027(33(42)469)28(5137)34(43)4710h1218H11H2110H3
MFCD01076917
tetramethyl6((4tertbutylphenyl)carbonyl)9ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4tertbutylbenzoyl)9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098000416
ZINC98000416
Check stock
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Check stock on Vitas-MAvailable files
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