Vitas-M small molecule compound
N-({4-methyl-5-[(2-oxo-2-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK297781
SMILES O=C(Nc1nnc(s1)C(C)C)CSc1nnc(n1C)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/c1-10(2)17-23-24-18(32-17)21-15(27)8-31-19-25-22-14(26(19)3)7-20-16(28)11-4-5-12-13(6-11)30-9-29-12/h4-6,10H,7-9H2,1-3H3,(H,20,28)(H,21,24,27)InChIKey
SRMHGFPNNVFKBY-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5((5ISOPROPYL(134)THIADIAZOL2YLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CC(C)C1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC19H21N7O4S2c110(2)17232418(3217)2115(27)83119252214(26(19)3)72016(28)11451213(611)3092912h4610H79H213H3(H2028)(H212427)
MFCD09961175
N((4methyl5((2oxo2((5(propan2yl)134thiadiazol2yl)amino)ethyl)sulfanyl)4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((4methyl5(2oxo2((5propan2yl134thiadiazol2yl)amino)ethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000013956727
ZINC13956727
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