Vitas-M small molecule compound
4-chloro-N-[2-(5-{[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK297438
SMILES Clc1ccc(cc1)C(=O)NCCc1nnc(n1C)SC(C(=O)NC1CCCCC1)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 C21H28ClN5O2S MW 450.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28ClN5O2S/c1-14(19(28)24-17-6-4-3-5-7-17)30-21-26-25-18(27(21)2)12-13-23-20(29)15-8-10-16(22)11-9-15/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
SPLLCWVIPGMKEM-UHFFFAOYSA-NSynonyms
4chloroN(2(5((1(cyclohexylamino)1oxopropan2yl)sulfanyl)4methyl4H124triazol3yl)ethyl)benzamide
4chloroN(2(5(1(cyclohexylamino)1oxopropan2yl)sulfanyl4methyl124triazol3yl)ethyl)benzamide
4CHLORON(2(5(1CYCLOHEXYLCARBAMOYLETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)CCNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H28ClN5O2Sc114(19(28)24176435717)3021262518(27(21)2)12132320(29)1581016(22)11915h8111417H371213H212H3(H2329)(H2428)
MFCD09961009
ZINC000013956443
ZINC000013956445
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