Vitas-M small molecule compound
tetramethyl 6'-[(4-tert-butylphenyl)carbonyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK077634
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)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 C35H35NO9S3 MW 709.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35NO9S3/c1-33(2,3)19-16-14-18(15-17-19)28(37)36-21-13-11-10-12-20(21)22-27(34(36,4)5)46-24(30(39)43-7)23(29(38)42-6)35(22)47-25(31(40)44-8)26(48-35)32(41)45-9/h10-17H,1-9H3InChIKey
OCHIMQYFWGANHR-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)C(C)(C)C)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)c1ccc(cc1)C(C)(C)C)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC35H35NO9S3c133(23)19161418(151719)28(37)36211311101220(21)2227(34(364)5)4624(30(39)437)23(29(38)426)35(22)4725(31(40)448)26(4835)32(41)459h1017H19H3
MFCD01076916
STK077634
tetramethyl6((4tertbutylphenyl)carbonyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4(tertbutyl)benzoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4tertbutylbenzoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098006802
ZINC98006802
Check stock
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Check stock on Vitas-MAvailable files
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