Vitas-M small molecule compound

methyl 2-[(3Z)-3-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK623713
SMILES COC(=O)c1c(sc2c1CCCC2)N1C(=O)C/C(=C/2\c3ccccc3N(C2=O)C)/C1=O

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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 C23H20N2O5S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5S/c1-24-15-9-5-3-7-12(15)18(21(24)28)14-11-17(26)25(20(14)27)22-19(23(29)30-2)13-8-4-6-10-16(13)31-22/h3,5,7,9H,4,6,8,10-11H2,1-2H3/b18-14-
InChIKey
XXDVOKAAWLUONU-JXAWBTAJSA-N
Synonyms
929811-13-2
(Z)methyl2(3(1methyl2oxoindolin3ylidene)25dioxopyrrolidin1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
929811132
CN1C2=CC=CC=C2C(=C3CC(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)C1=O
COC(=O)c1c(sc2c1CCCC2)N1C(=O)CC(=C2c3ccccc3N(C2=O)C)C1=O
InChI=1SC23H20N2O5Sc12415953712(15)18(21(24)28)141117(26)25(20(14)27)2219(23(29)302)138461016(13)3122h3579H4681011H212H3b1814
methyl2((3Z)3(1methyl2oxo12dihydro3Hindol3ylidene)25dioxopyrrolidin1yl)4567tetrahydro1benzothiophene3carboxylate
methyl2((3Z)3(1methyl2oxoindol3ylidene)25dioxopyrrolidin1yl)4567tetrahydro1benzothiophene3carboxylate
MFCD09795190
ZINC000009547235
ZINC09547235
ZINC9547235

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Available files

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