Vitas-M small molecule compound

1-(methylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Catalog ID
STL366452
SMILES C=CCSc1nnc(s1)NC(=O)C1CCN(CC1)S(=O)(=O)C

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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 C12H18N4O3S3 MW 362.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O3S3/c1-3-8-20-12-15-14-11(21-12)13-10(17)9-4-6-16(7-5-9)22(2,18)19/h3,9H,1,4-8H2,2H3,(H,13,14,17)
InChIKey
KBPXXKJBHOLYTN-UHFFFAOYSA-N
Synonyms
931006-58-5
1(methylsulfonyl)N(5(prop2en1ylsulfanyl)134thiadiazol2yl)piperidine4carboxamide
1methylsulfonylN(5prop2enylsulfanyl134thiadiazol2yl)piperidine4carboxamide
931006585
CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)SCC=C
InChI=1SC12H18N4O3S3c1382012151411(2112)1310(17)94616(759)22(218)19h39H148H22H3(H131417)
MFCD09351652
ZINC000014107790
ZINC14107790

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Available files

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