Vitas-M small molecule compound
N-{(1Z)-3-{[2-(1H-indol-3-yl)ethyl]amino}-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Catalog ID
STK837863
SMILES CSc1ccc(cc1)/C=C(/C(=O)NCCc1c[nH]c2c1cccc2)\NC(=O)c1ccc(cc1)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 C28H27N3O2S MW 469.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O2S/c1-19-7-11-21(12-8-19)27(32)31-26(17-20-9-13-23(34-2)14-10-20)28(33)29-16-15-22-18-30-25-6-4-3-5-24(22)25/h3-14,17-18,30H,15-16H2,1-2H3,(H,29,33)(H,31,32)/b26-17-InChIKey
KDUQZTZVSZSADU-ONUIUJJFSA-NSynonyms
(Z)N(3((2(1Hindol3yl)ethyl)amino)1(4(methylthio)phenyl)3oxoprop1en2yl)4methylbenzamide
CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)SC)C(=O)NCCC3=CNC4=CC=CC=C43
CSc1ccc(cc1)C=C(C(=O)NCCc1c(nH)c2c1cccc2)NC(=O)c1ccc(cc1)C
InChI=1SC28H27N3O2Sc11971121(12819)27(32)3126(172091323(342)141020)28(33)29161522183025643524(22)25h314171830H1516H212H3(H2933)(H3132)b2617
MFCD02997602
N((1Z)3((2(1Hindol3yl)ethyl)amino)1(4(methylsulfanyl)phenyl)3oxoprop1en2yl)4methylbenzamide
N((Z)3(2(1HINDOL3YL)ETHYLAMINO)1(4METHYLSULFANYLPHENYL)3OXOPROP1EN2YL)4METHYLBENZAMIDE
ZINC000009300919
ZINC09300919
ZINC9300919
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