Vitas-M small molecule compound
N-{[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]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK297782
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SC(C(=O)Nc1sc(c(n1)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 C21H24N6O4S2 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O4S2/c1-5-27-17(9-22-19(29)14-6-7-15-16(8-14)31-10-30-15)25-26-21(27)33-13(4)18(28)24-20-23-11(2)12(3)32-20/h6-8,13H,5,9-10H2,1-4H3,(H,22,29)(H,23,24,28)InChIKey
YESXVMZIPMZDKG-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5(1(45DIMETHYLTHIAZOL2YLCARBAMOYL)ETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SC(C)C(=O)NC2=NC(=C(S2)C)C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H24N6O4S2c152717(92219(29)14671516(814)31103015)252621(27)3313(4)18(28)24202311(2)12(3)3220h6813H5910H214H3(H2229)(H232428)
MFCD09961176
N((5((1((45dimethyl13thiazol2yl)amino)1oxopropan2yl)sulfanyl)4ethyl4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((5(1((45dimethyl13thiazol2yl)amino)1oxopropan2yl)sulfanyl4ethyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000013956730
ZINC000013956732
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