Vitas-M small molecule compound

3,4-dimethoxy-N-[(2-{[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}hydrazinyl)carbonothioyl]benzamide

Catalog ID
STK596915
SMILES COc1ccc(cc1)c1[nH]nc(c1)C(=O)NNC(=S)NC(=O)c1ccc(c(c1)OC)OC

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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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-29-14-7-4-12(5-8-14)15-11-16(24-23-15)20(28)25-26-21(32)22-19(27)13-6-9-17(30-2)18(10-13)31-3/h4-11H,1-3H3,(H,23,24)(H,25,28)(H2,22,26,27,32)
InChIKey
JUTTXXMZVWSEKI-UHFFFAOYSA-N
Synonyms
879469-02-0
34DIMETHOXYN(((3(4METHOXYPHENYL)1HPYRAZOLE5CARBONYL)AMINO)CARBAMOTHIOYL)BENZAMIDE
34dimethoxyN((2((5(4methoxyphenyl)1Hpyrazol3yl)carbonyl)hydrazinyl)carbonothioyl)benzamide
34dimethoxyN(2(3(4methoxyphenyl)1Hpyrazole5carbonyl)hydrazinecarbonothioyl)benzamide
879469020
COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC
COc1ccc(cc1)c1(nH)nc(c1)C(=O)NNC(=S)NC(=O)c1ccc(c(c1)OC)OC
COc1ccc(cc1)c1n(nH)c(c1)C(=O)NNC(=S)NC(=O)c1ccc(c(c1)OC)OC
InChI=1SC21H21N5O5Sc129147412(5814)151116(242315)20(28)252621(32)2219(27)136917(302)18(1013)313h411H13H3(H2324)(H2528)(H222262732)
MFCD07211825
ZINC000009324711
ZINC09324711
ZINC9324711

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Available files

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