Vitas-M small molecule compound

2-{[4-(difluoromethoxy)-3-methoxyphenyl]carbonyl}-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]hydrazinecarbothioamide

Catalog ID
STL402996
SMILES COc1cc(ccc1OC(F)F)C(=O)NNC(=S)Nc1cnn(c1)Cc1ccccc1C

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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 C21H21F2N5O3S MW 461.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F2N5O3S/c1-13-5-3-4-6-15(13)11-28-12-16(10-24-28)25-21(32)27-26-19(29)14-7-8-17(31-20(22)23)18(9-14)30-2/h3-10,12,20H,11H2,1-2H3,(H,26,29)(H2,25,27,32)
InChIKey
GJHUJSOSOGJENV-UHFFFAOYSA-N
Synonyms
1005647-25-5
1((4(DIFLUOROMETHOXY)3METHOXYBENZOYL)AMINO)3(1((2METHYLPHENYL)METHYL)PYRAZOL4YL)THIOUREA
1005647255
2((4(difluoromethoxy)3methoxyphenyl)carbonyl)N(1(2methylbenzyl)1Hpyrazol4yl)hydrazinecarbothioamide
CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NNC(=O)C3=CC(=C(C=C3)OC(F)F)OC
InChI=1SC21H21F2N5O3Sc113534615(13)11281216(102428)2521(32)272619(29)147817(3120(22)23)18(914)302h3101220H11H212H3(H2629)(H2252732)
MFCD04051316
ZINC000002797918
ZINC02797918
ZINC2797918

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Available files

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