Vitas-M small molecule compound

N-cyclopentyl-2-[(5-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide

Catalog ID
STK297673
SMILES CCC(C(=O)NC1CCCC1)Sc1nnc(n1C)CC(=O)Nc1ccccc1OC

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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 C21H29N5O3S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O3S/c1-4-17(20(28)22-14-9-5-6-10-14)30-21-25-24-18(26(21)2)13-19(27)23-15-11-7-8-12-16(15)29-3/h7-8,11-12,14,17H,4-6,9-10,13H2,1-3H3,(H,22,28)(H,23,27)
InChIKey
XGWAAPCALJKTAP-UHFFFAOYSA-N
Synonyms

CCC(C(=O)NC1CCCC1)SC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3OC
InChI=1SC21H29N5O3Sc1417(20(28)22149561014)3021252418(26(21)2)1319(27)231511781216(15)293h7811121417H4691013H213H3(H2228)(H2327)
MFCD09876359
Ncyclopentyl2((5(2((2methoxyphenyl)amino)2oxoethyl)4methyl4H124triazol3yl)sulfanyl)butanamide
Ncyclopentyl2((5(2(2methoxyanilino)2oxoethyl)4methyl124triazol3yl)sulfanyl)butanamide
NCYCLOPENTYL2(5((2METHOXYPHENYLCARBAMOYL)METHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)BUTYRAMIDE
ZINC000013956498
ZINC000013956501

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Available files

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