Vitas-M small molecule compound
2-{[5-(4,5-dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Catalog ID
STK434035
SMILES CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1c1sc(c(c1)Br)Br
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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 C16H13Br2N5O3S2 MW 547.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Br2N5O3S2/c1-2-22-15(12-7-11(17)14(18)28-12)20-21-16(22)27-8-13(24)19-9-4-3-5-10(6-9)23(25)26/h3-7H,2,8H2,1H3,(H,19,24)InChIKey
XVCOJFXBXMRZQF-UHFFFAOYSA-NSynonyms
2((5(45DIBROMOTHIOPHEN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)ACETAMIDE
2((5(45dibromothiophen2yl)4ethyl4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2(5(45DIBROMO(2THIENYL))4ETHYL(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))C3=CC(=C(S3)Br)Br
CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1c1sc(c(c1)Br)Br
InChI=1SC16H13Br2N5O3S2c122215(12711(17)14(18)2812)202116(22)27813(24)19943510(69)23(25)26h37H28H21H3(H1924)
MFCD03943326
ZINC000097947957
ZINC97947957
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