Vitas-M small molecule compound
2-{[4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-tribromophenyl)acetamide
Catalog ID
STL048464
SMILES O=C(Nc1c(Br)cc(cc1Br)Br)CSc1nnc(n1Cc1ccco1)c1ccccc1
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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 C21H15Br3N4O2S MW 627.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Br3N4O2S/c22-14-9-16(23)19(17(24)10-14)25-18(29)12-31-21-27-26-20(13-5-2-1-3-6-13)28(21)11-15-7-4-8-30-15/h1-10H,11-12H2,(H,25,29)InChIKey
UNOQYKSKPOICRY-UHFFFAOYSA-NSynonyms
2((4(FURAN2YLMETHYL)5PHENYL124TRIAZOL3YL)SULFANYL)N(246TRIBROMOPHENYL)ACETAMIDE
2((4(furan2ylmethyl)5phenyl4H124triazol3yl)sulfanyl)N(246tribromophenyl)acetamide
2((4(furan2ylmethyl)5phenyl4H124triazol3yl)thio)N(246tribromophenyl)acetamide
2(4(2FURYLMETHYL)5PHENYL(124TRIAZOL3YLTHIO))N(246TRIBROMOPHENYL)ACETAMIDE
C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C=C(C=C4Br)Br)Br
InChI=1SC21H15Br3N4O2Sc2214916(23)19(17(24)1014)2518(29)123121272620(135213613)28(21)11157483015h110H1112H2(H2529)
MFCD05727974
ZINC000097956891
ZINC97956891
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