Vitas-M small molecule compound
tetramethyl 6'-[(4-tert-butylphenyl)carbonyl]-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK139468
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1ccc(cc1)C(C)(C)C)SC(=C(S2)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 C36H37NO9S3 MW 723.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37NO9S3/c1-18-11-16-22-21(17-18)23-28(35(5,6)37(22)29(38)19-12-14-20(15-13-19)34(2,3)4)47-25(31(40)44-8)24(30(39)43-7)36(23)48-26(32(41)45-9)27(49-36)33(42)46-10/h11-17H,1-10H3InChIKey
CGAPOQFAZHRSBZ-UHFFFAOYSA-NSynonyms
CC1=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=1SC36H37NO9S3c11811162221(1718)2328(35(56)37(22)29(38)19121420(151319)34(23)4)4725(31(40)448)24(30(39)437)36(23)4826(32(41)459)27(4936)33(42)4610h1117H110H3
MFCD00997507
tetramethyl6((4tertbutylphenyl)carbonyl)559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4(tertbutyl)benzoyl)559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4tertbutylbenzoyl)559trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999498
ZINC97999498
Check stock
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