Vitas-M small molecule compound
3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide
Catalog ID
STL435279
SMILES COc1cc(cc2c1OCO2)C(c1c(=O)oc2c(c1O)cccc2)CC(=O)NCCc1c[nH]c2c1cccc2
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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 C30H26N2O7 MW 526.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O7/c1-36-24-12-18(13-25-29(24)38-16-37-25)21(27-28(34)20-7-3-5-9-23(20)39-30(27)35)14-26(33)31-11-10-17-15-32-22-8-4-2-6-19(17)22/h2-9,12-13,15,21,32,34H,10-11,14,16H2,1H3,(H,31,33)InChIKey
SXIXGKQRHHNZSA-UHFFFAOYSA-NSynonyms
3(4hydroxy2oxo2Hchromen3yl)N(2(1Hindol3yl)ethyl)3(7methoxy13benzodioxol5yl)propanamide
3(4hydroxy2oxochromen3yl)N(2(1Hindol3yl)ethyl)3(7methoxy13benzodioxol5yl)propanamide
COC1=CC(=CC2=C1OCO2)C(CC(=O)NCCC3=CNC4=CC=CC=C43)C5=C(C6=CC=CC=C6OC5=O)O
COc1cc(cc2c1OCO2)C(c1c(=O)oc2c(c1O)cccc2)CC(=O)NCCc1c(nH)c2c1cccc2
InChI=1SC30H26N2O7c136241218(132529(24)38163725)21(2728(34)20735923(20)3930(27)35)1426(33)31111017153222842619(17)22h29121315213234H10111416H21H3(H3133)
MFCD30711815
ZINC000253471456
ZINC000253471459
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