Vitas-M small molecule compound
N-{1-[5-({1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK221969
SMILES CCn1c(nnc1C(NC(=O)c1ccccc1)C)SC(C(=O)Nc1sc(c(n1)C)C)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H26N6O2S2 MW 458.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O2S2/c1-6-27-17(13(3)22-19(29)16-10-8-7-9-11-16)25-26-21(27)31-15(5)18(28)24-20-23-12(2)14(4)30-20/h7-11,13,15H,6H2,1-5H3,(H,22,29)(H,23,24,28)InChIKey
ODOUJMMLONIHKK-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2=NC(=C(S2)C)C)C(C)NC(=O)C3=CC=CC=C3
InChI=1SC21H26N6O2S2c162717(13(3)2219(29)16108791116)252621(27)3115(5)18(28)24202312(2)14(4)3020h7111315H6H215H3(H2229)(H232428)
MFCD07401351
N(1(5((1((45dimethyl13thiazol2yl)amino)1oxopropan2yl)sulfanyl)4ethyl4H124triazol3yl)ethyl)benzamide
N(1(5(1((45DIMETHYL13THIAZOL2YL)AMINO)1OXOPROPAN2YL)SULFANYL4ETHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(5(1(45DIMETHYLTHIAZOL2YLCARBAMOYL)ETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000009303262
ZINC000009303272
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