Vitas-M small molecule compound
N-{[4-ethyl-5-({2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK297784
SMILES CCc1nnc(s1)NC(=O)CSc1nnc(n1CC)CNC(=O)c1ccc2c(c1)OCO2
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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 C19H21N7O4S2 MW 475.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7O4S2/c1-3-16-23-24-18(32-16)21-15(27)9-31-19-25-22-14(26(19)4-2)8-20-17(28)11-5-6-12-13(7-11)30-10-29-12/h5-7H,3-4,8-10H2,1-2H3,(H,20,28)(H,21,24,27)InChIKey
YPAFZVSWOXPGNA-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5((5ETHYL(134)THIADIAZOL2YLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC19H21N7O4S2c1316232418(3216)2115(27)93119252214(26(19)42)82017(28)11561213(711)30102912h57H34810H212H3(H2028)(H212427)
MFCD09961178
N((4ethyl5((2((5ethyl134thiadiazol2yl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((4ethyl5(2((5ethyl134thiadiazol2yl)amino)2oxoethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000013956739
ZINC13956739
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