Vitas-M small molecule compound

(3Z)-3-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STL448654
SMILES CCN1c2ccc(cc2/C(=C/c2cn(c3c2cccc3)CC(=O)N2CCCCCC2)/C1=O)S(=O)(=O)N1CCOCC1

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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 C31H36N4O5S MW 576.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O5S/c1-2-35-29-12-11-24(41(38,39)34-15-17-40-18-16-34)20-26(29)27(31(35)37)19-23-21-33(28-10-6-5-9-25(23)28)22-30(36)32-13-7-3-4-8-14-32/h5-6,9-12,19-21H,2-4,7-8,13-18,22H2,1H3/b27-19-
InChIKey
LXCISFSQAWAWDL-DIBXZPPDSA-N
Synonyms

(3Z)3((1(2(azepan1yl)2oxoethyl)1Hindol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(2(AZEPAN1YL)2OXOETHYL)INDOL3YL)METHYLIDENE)1ETHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=CN(C5=CC=CC=C54)CC(=O)N6CCCCCC6)C1=O
CCN1c2ccc(cc2C(=Cc2cn(c3c2cccc3)CC(=O)N2CCCCCC2)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC31H36N4O5Sc123529121124(41(3839)34151740181634)2026(29)27(31(35)37)19232133(281065925(23)28)2230(36)321373481432h569121921H2478131822H21H3b2719
MFCD05133818
ZINC000008778038
ZINC8778038

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Available files

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