Vitas-M small molecule compound
N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK263844
SMILES Brc1ccc(cc1)C(=O)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 C20H17BrN4O4S MW 489.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O4S/c1-25-18(9-22-19(27)13-4-7-16-17(8-13)29-11-28-16)23-24-20(25)30-10-15(26)12-2-5-14(21)6-3-12/h2-8H,9-11H2,1H3,(H,22,27)InChIKey
ZSDBSCMJURXLSM-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5(2(4BROMOPHENYL)2OXOETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H17BrN4O4Sc12518(92219(27)13471617(813)29112816)232420(25)301015(26)122514(21)6312h28H911H21H3(H2227)
MFCD08669990
N((5((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(4BROMOPHENYL)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009489257
ZINC09489257
ZINC9489257
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