Vitas-M small molecule compound
N-(3-bromophenyl)-2-[(3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl]acetamide
Catalog ID
STK814012
SMILES COc1cc(CCN2C(=S)S/C(=C\3/c4ccccc4N(C3=O)CC(=O)Nc3cccc(c3)Br)/C2=O)ccc1OC
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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 C29H24BrN3O5S2 MW 638.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24BrN3O5S2/c1-37-22-11-10-17(14-23(22)38-2)12-13-32-28(36)26(40-29(32)39)25-20-8-3-4-9-21(20)33(27(25)35)16-24(34)31-19-7-5-6-18(30)15-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,31,34)/b26-25-InChIKey
IAUNHKKHIGQUKR-QPLCGJKRSA-NSynonyms
COC1=C(C=C(C=C1)CCN2C(=O)C(=C3C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC(=CC=C5)Br)SC2=S)OC
COc1cc(CCN2C(=S)SC(=C3c4ccccc4N(C3=O)CC(=O)Nc3cccc(c3)Br)C2=O)ccc1OC
InChI=1SC29H24BrN3O5S2c13722111017(1423(22)382)12133228(36)26(4029(32)39)2520834921(20)33(27(25)35)1624(34)311975618(30)1519h3111415H121316H212H3(H3134)b2625
MFCD04441887
N(3BROMOPHENYL)2((3Z)3(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETAMIDE
N(3bromophenyl)2((3Z)3(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetamide
ZINC000150432068
ZINC150432068
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.