Vitas-M small molecule compound

N-[1-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methoxybenzamide

Catalog ID
STK274027
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)NC(C)(C)C)C(C)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 C21H31N5O3S MW 433.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O3S/c1-13(2)17(22-19(28)14-8-10-15(29-7)11-9-14)18-24-25-20(26(18)6)30-12-16(27)23-21(3,4)5/h8-11,13,17H,12H2,1-7H3,(H,22,28)(H,23,27)
InChIKey
GFKFWOVAGRTRML-UHFFFAOYSA-N
Synonyms

CC(C)C(C1=NN=C(N1C)SCC(=O)NC(C)(C)C)NC(=O)C2=CC=C(C=C2)OC
InChI=1SC21H31N5O3Sc113(2)17(2219(28)1481015(297)11914)18242520(26(18)6)301216(27)2321(34)5h8111317H12H217H3(H2228)(H2327)
MFCD09268334
N(1(5((2(TERTBUTYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2METHYLPROPYL)4METHOXYBENZAMIDE
N(1(5(2(tertbutylamino)2oxoethyl)sulfanyl4methyl124triazol3yl)2methylpropyl)4methoxybenzamide
ZINC000009615121
ZINC000013858109

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Available files

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