Vitas-M small molecule compound
2-{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-3-nitrophenyl)acetamide
Catalog ID
STK434865
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)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 C18H17BrClN5O3S2 MW 530.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrClN5O3S2/c1-3-14-11(19)8-15(30-14)17-22-23-18(24(17)4-2)29-9-16(26)21-10-5-6-12(20)13(7-10)25(27)28/h5-8H,3-4,9H2,1-2H3,(H,21,26)InChIKey
XSIWNUJXZHQQBB-UHFFFAOYSA-NSynonyms
2((5(4BROMO5ETHYLTHIOPHEN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)N(4CHLORO3NITROPHENYL)ACETAMIDE
2((5(4bromo5ethylthiophen2yl)4ethyl4H124triazol3yl)sulfanyl)N(4chloro3nitrophenyl)acetamide
2(5(4BROMO5ETHYL(2THIENYL))4ETHYL(124TRIAZOL3YLTHIO))N(4CHLORO3NITROPHENYL)ACETAMIDE
CCC1=C(C=C(S1)C2=NN=C(N2CC)SCC(=O)NC3=CC(=C(C=C3)Cl)(N+)(=O)(O))Br
CCn1c(SCC(=O)Nc2ccc(c(c2)(N+)(=O)(O))Cl)nnc1c1sc(c(c1)Br)CC
InChI=1SC18H17BrClN5O3S2c131411(19)815(3014)17222318(24(17)42)29916(26)21105612(20)13(710)25(27)28h58H349H212H3(H2126)
MFCD03943243
ZINC000097945541
ZINC97945541
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