Vitas-M small molecule compound
4-amino-N-(4,5-dicyano-2-nitrophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Catalog ID
STL342823
SMILES CCc1nnc(s1)N(S(=O)(=O)c1ccc(cc1)N)c1cc(C#N)c(cc1[N+](=O)[O-])C#N
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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 C18H13N7O4S2 MW 455.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N7O4S2/c1-2-17-22-23-18(30-17)24(31(28,29)14-5-3-13(21)4-6-14)15-7-11(9-19)12(10-20)8-16(15)25(26)27/h3-8H,2,21H2,1H3InChIKey
BJIBIAUMIGSHLZ-UHFFFAOYSA-NSynonyms
844651-02-14aminoN(45dicyano2nitrophenyl)N(5ethyl134thiadiazol2yl)benzenesulfonamide
844651021
CCC1=NN=C(S1)N(C2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O))S(=O)(=O)C3=CC=C(C=C3)N
CCc1nnc(s1)N(S(=O)(=O)c1ccc(cc1)N)c1cc(C#N)c(cc1(N+)(=O)(O))C#N
InChI=1SC18H13N7O4S2c1217222318(3017)24(31(2829)145313(21)4614)15711(919)12(1020)816(15)25(26)27h38H221H21H3
MFCD04159079
ZINC000008974932
ZINC08974932
ZINC8974932
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