Vitas-M small molecule compound
N-{[4-methyl-5-({2-[(5-methyl-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
STK245957
SMILES O=C(Nc1nnc(s1)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 C17H17N7O4S2 MW 447.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O4S2/c1-9-20-22-16(30-9)19-14(25)7-29-17-23-21-13(24(17)2)6-18-15(26)10-3-4-11-12(5-10)28-8-27-11/h3-5H,6-8H2,1-2H3,(H,18,26)(H,19,22,25)InChIKey
ZDETXXMVLZZLGG-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4METHYL5((5METHYL(134)THIADIAZOL2YLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC17H17N7O4S2c19202216(309)1914(25)72917232113(24(17)2)61815(26)10341112(510)2882711h35H68H212H3(H1826)(H192225)
MFCD08670799
N((4METHYL5((2((5METHYL134THIADIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4methyl5(2((5methyl134thiadiazol2yl)amino)2oxoethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009328532
ZINC09328532
ZINC9328532
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