Vitas-M small molecule compound
2-{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Catalog ID
STK434039
SMILES CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1c1sc(c(c1)Br)CC
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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 C18H18BrN5O3S2 MW 496.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN5O3S2/c1-3-14-13(19)9-15(29-14)17-21-22-18(23(17)4-2)28-10-16(25)20-11-6-5-7-12(8-11)24(26)27/h5-9H,3-4,10H2,1-2H3,(H,20,25)InChIKey
FGSGJGOKMVVQLO-UHFFFAOYSA-NSynonyms
2((5(4BROMO5ETHYLTHIOPHEN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)ACETAMIDE
2((5(4bromo5ethylthiophen2yl)4ethyl4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2(5(4BROMO5ETHYL(2THIENYL))4ETHYL(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CCC1=C(C=C(S1)C2=NN=C(N2CC)SCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O))Br
CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1c1sc(c(c1)Br)CC
InChI=1SC18H18BrN5O3S2c131413(19)915(2914)17212218(23(17)42)281016(25)201165712(811)24(26)27h59H3410H212H3(H2025)
MFCD03943330
ZINC000020191232
ZINC20191232
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