Vitas-M small molecule compound

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{(3Z)-3-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetamide

Catalog ID
STK814981
SMILES CCOCCCN1C(=S)S/C(=C/2\C(=O)N(c3c2cccc3)CC(=O)Nc2c(C)n(n(c2=O)c2ccccc2)C)/C1=O

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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 C29H29N5O5S2 MW 591.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O5S2/c1-4-39-16-10-15-32-28(38)25(41-29(32)40)23-20-13-8-9-14-21(20)33(26(23)36)17-22(35)30-24-18(2)31(3)34(27(24)37)19-11-6-5-7-12-19/h5-9,11-14H,4,10,15-17H2,1-3H3,(H,30,35)/b25-23-
InChIKey
KTNNOBIUJNBDKZ-BZZOAKBMSA-N
Synonyms

CCOCCCN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)SC1=S
CCOCCCN1C(=S)SC(=C2C(=O)N(c3c2cccc3)CC(=O)Nc2c(C)n(n(c2=O)c2ccccc2)C)C1=O
InChI=1SC29H29N5O5S2c14391610153228(38)25(4129(32)40)232013891421(20)33(26(23)36)1722(35)302418(2)31(3)34(27(24)37)19116571219h591114H4101517H213H3(H3035)b2523
MFCD04442443
N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2((3Z)3(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetamide
N(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2((3Z)3(3(3ETHOXYPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETAMIDE
ZINC000100893148
ZINC100893148

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.