Vitas-M small molecule compound
(3Z)-3-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL441551
SMILES O=C(N1CCCCCC1)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCOCC1)C
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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 C30H34N4O5S MW 562.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O5S/c1-31-27-11-10-23(40(37,38)34-14-16-39-17-15-34)19-25(27)26(30(31)36)18-22-20-33(28-9-5-4-8-24(22)28)21-29(35)32-12-6-2-3-7-13-32/h4-5,8-11,18-20H,2-3,6-7,12-17,21H2,1H3/b26-18-InChIKey
MQAOYXFACDELMN-ITYLOYPMSA-NSynonyms
(3Z)3((1(2(azepan1yl)2oxoethyl)1Hindol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(2(AZEPAN1YL)2OXOETHYL)INDOL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=CN(C5=CC=CC=C54)CC(=O)N6CCCCCC6)C1=O
InChI=1SC30H34N4O5Sc13127111023(40(3738)34141639171534)1925(27)26(30(31)36)18222033(28954824(22)28)2129(35)321262371332h458111820H2367121721H21H3b2618
MFCD05132893
O=C(N1CCCCCC1)Cn1cc(c2c1cccc2)C=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCOCC1)C
ZINC000008777597
ZINC8777597
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