Vitas-M small molecule compound
N-{[4-ethyl-5-({1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK497852
SMILES CCc1nnc(s1)NC(=O)C(Sc1nnc(n1CC)CNC(=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 C20H23N7O4S2 MW 489.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O4S2/c1-4-16-24-25-19(33-16)22-17(28)11(3)32-20-26-23-15(27(20)5-2)9-21-18(29)12-6-7-13-14(8-12)31-10-30-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,21,29)(H,22,25,28)InChIKey
KCMHOLJVNFWSIC-UHFFFAOYSA-NSynonyms
CCC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2CC)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H23N7O4S2c1416242519(3316)2217(28)11(3)3220262315(27(20)52)92118(29)12671314(812)31103013h6811H45910H213H3(H2129)(H222528)
MFCD11855133
N((4ethyl5((1((5ethyl134thiadiazol2yl)amino)1oxopropan2yl)sulfanyl)4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((4ethyl5(1((5ethyl134thiadiazol2yl)amino)1oxopropan2yl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000028211998
ZINC000028212001
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