Vitas-M small molecule compound
N-[2-methyl-1-(4-methyl-5-{[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)propyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK273923
SMILES CC(C(c1nnc(n1C)SC(C(=O)Nc1nccs1)C)NC(=O)c1ccc2c(c1)OCO2)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/c1-11(2)16(23-19(29)13-5-6-14-15(9-13)31-10-30-14)17-25-26-21(27(17)4)33-12(3)18(28)24-20-22-7-8-32-20/h5-9,11-12,16H,10H2,1-4H3,(H,23,29)(H,22,24,28)InChIKey
CVHSDEBGUCTRGL-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(2METHYL1(4METHYL5(1(THIAZOL2YLCARBAMOYL)ETHYLSULFANYL)4H(124)TRIAZOL3YL)PROPYL)AMIDE
CC(C)C(C1=NN=C(N1C)SC(C)C(=O)NC2=NC=CS2)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H24N6O4S2c111(2)16(2319(29)13561415(913)31103014)17252621(27(17)4)3312(3)18(28)242022783220h59111216H10H214H3(H2329)(H222428)
MFCD09268237
N(2METHYL1(4METHYL5((1OXO1(13THIAZOL2YLAMINO)PROPAN2YL)SULFANYL)4H124TRIAZOL3YL)PROPYL)13BENZODIOXOLE5CARBOXAMIDE
N(2methyl1(4methyl5(1oxo1(13thiazol2ylamino)propan2yl)sulfanyl124triazol3yl)propyl)13benzodioxole5carboxamide
ZINC000009614958
ZINC000009614963
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