Vitas-M small molecule compound
tetramethyl 6'-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK078663
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)C(=O)c1sc3c(c1Cl)cccc3)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 C34H28ClNO9S4 MW 758.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28ClNO9S4/c1-15-12-13-16-18(14-15)36(28(37)24-22(35)17-10-8-9-11-19(17)46-24)33(2,3)27-20(16)34(21(29(38)42-4)23(47-27)30(39)43-5)48-25(31(40)44-6)26(49-34)32(41)45-7/h8-14H,1-7H3InChIKey
XRZKLFMBMBBEBN-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C4=C(C5=CC=CC=C5S4)Cl)(C)C)SC(=C(C36SC(=C(S6)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)C(=O)c1sc3c(c1Cl)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC34H28ClNO9S4c11512131618(1415)36(28(37)2422(35)1710891119(17)4624)33(23)2720(16)34(21(29(38)424)23(4727)30(39)435)4825(31(40)446)26(4934)32(41)457h814H17H3
MFCD01942503
STK078663
tetramethyl6((3chloro1benzothiophen2yl)carbonyl)558trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3chloro1benzothiophene2carbonyl)558trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3chlorobenzo(b)thiophene2carbonyl)558trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150392926
ZINC150392926
Check stock
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Check stock on Vitas-MAvailable files
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