Vitas-M small molecule compound
tetramethyl 6'-(1,3-benzodioxol-5-ylcarbonyl)-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK065038
SMILES COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)c(cc2N(C1(C)C)C(=O)c1ccc2c(c1)OCO2)C)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 C34H31NO11S3 MW 725.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31NO11S3/c1-15-11-18-19(12-16(15)2)35(28(36)17-9-10-20-21(13-17)46-14-45-20)33(3,4)27-22(18)34(23(29(37)41-5)24(47-27)30(38)42-6)48-25(31(39)43-7)26(49-34)32(40)44-8/h9-13H,14H2,1-8H3InChIKey
IBSXCRQLMJKTBF-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)C4=CC5=C(C=C4)OCO5)(C)C)SC(=C(C36SC(=C(S6)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)c(cc2N(C1(C)C)C(=O)c1ccc2c(c1)OCO2)C)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC34H31NO11S3c115111819(1216(15)2)35(28(36)179102021(1317)46144520)33(34)2722(18)34(23(29(37)415)24(4727)30(38)426)4825(31(39)437)26(4934)32(40)448h913H14H218H3
MFCD01561881
STK065038
tetramethyl6(13benzodioxol5ylcarbonyl)5589tetramethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(13benzodioxole5carbonyl)5589tetramethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(benzo(d)(13)dioxole5carbonyl)5589tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008444274
ZINC08444274
ZINC8444274
Check stock
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Check stock on Vitas-MAvailable files
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