Vitas-M small molecule compound

N-[(2E)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

Catalog ID
STL314489
SMILES O=C(c1c(C)nn(c1C)C1CCS(=O)(=O)C1)/N=c/1\[nH]nc(s1)Cc1ccccc1

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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 C19H21N5O3S2 MW 431.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O3S2/c1-12-17(13(2)24(23-12)15-8-9-29(26,27)11-15)18(25)20-19-22-21-16(28-19)10-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,20,22,25)
InChIKey
QRKIWNIYWOLTMB-UHFFFAOYSA-N
Synonyms
1401595-61-6
1401595616
CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4
InChI=1SC19H21N5O3S2c11217(13(2)24(2312)158929(2627)1115)18(25)2019222116(2819)10146435714h3715H811H212H3(H202225)
MFCD28030743
N((2E)5benzyl134thiadiazol2(3H)ylidene)1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazole4carboxamide
N(5benzyl134thiadiazol2yl)1(11dioxothiolan3yl)35dimethylpyrazole4carboxamide
O=C(c1c(C)nn(c1C)C1CCS(=O)(=O)C1)N=c1(nH)nc(s1)Cc1ccccc1
ZINC000079488130
ZINC000079488135

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Available files

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