Vitas-M small molecule compound
tetramethyl 6'-[(2-chlorophenyl)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
STK093434
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccccc2Cl)(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 C33H30ClNO10S3 MW 732.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClNO10S3/c1-8-45-16-13-14-20-18(15-16)21-26(32(2,3)35(20)27(36)17-11-9-10-12-19(17)34)46-23(29(38)42-5)22(28(37)41-4)33(21)47-24(30(39)43-6)25(48-33)31(40)44-7/h9-15H,8H2,1-7H3InChIKey
YLSBOGQUEYWVKR-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=CC=C5Cl
CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccccc2Cl)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC33H30ClNO10S3c18451613142018(1516)2126(32(23)35(20)27(36)17119101219(17)34)4623(29(38)425)22(28(37)414)33(21)4724(30(39)436)25(4833)31(40)447h915H8H217H3
MFCD01156253
STK093434
tetramethyl6((2chlorophenyl)carbonyl)9ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2chlorobenzoyl)9ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2chlorobenzoyl)9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425774
ZINC08425774
ZINC8425774
Check stock
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Check stock on Vitas-MAvailable files
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