Vitas-M small molecule compound
tetramethyl 2',3',7',7'-tetramethyl-4',5'-dioxo-4',5'-dihydro-7'H-spiro[1,3-dithiole-2,11'-pyrrolo[3,2,1-ij]thiopyrano[2,3-c]quinoline]-4,5,9',10'-tetracarboxylate
Catalog ID
STK105330
SMILES COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)c(c3c2N(C1(C)C)C(=O)C3=O)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 C28H25NO10S3 MW 631.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO10S3/c1-10-9-12-14-21(27(3,4)29-16(12)13(11(10)2)17(30)22(29)31)40-18(24(33)37-6)15(23(32)36-5)28(14)41-19(25(34)38-7)20(42-28)26(35)39-8/h9H,1-8H3InChIKey
QDUQJYRZMWYKEC-UHFFFAOYSA-NSynonyms
CC1=C(C2=C3C(=C1)C4=C(C(N3C(=O)C2=O)(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI=1SC28H25NO10S3c1109121421(27(34)2916(12)13(11(10)2)17(30)22(29)31)4018(24(33)376)15(23(32)365)28(14)4119(25(34)387)20(4228)26(35)398h9H18H3
MFCD03304741
tetramethyl2377tetramethyl45dioxo45dihydro7Hspiro(13dithiole211pyrrolo(321ij)thiopyrano(23c)quinoline)45910tetracarboxylate
tetramethyl2377tetramethyl45dioxo57dihydro4Hspiro((13)dithiole211pyrrolo(321ij)thiopyrano(23c)quinoline)45910tetracarboxylate
ZINC000150347292
ZINC150347292
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