Vitas-M small molecule compound

N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

Catalog ID
STL181248
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)[N+](=O)[O-]

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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 C23H19N7O3S MW 473.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N7O3S/c1-2-13-6-7-16-17(11-24)22(34-20(16)8-13)28-21(31)19-10-18(27-23-25-12-26-29(19)23)14-4-3-5-15(9-14)30(32)33/h3-5,9-10,12-13H,2,6-8H2,1H3,(H,28,31)
InChIKey
LFFUMYKFJNKFDF-UHFFFAOYSA-N
Synonyms
1174834-31-1
1174834311
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=NC=NN34)C5=CC(=CC=C5)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H19N7O3Sc1213671617(1124)22(3420(16)813)2821(31)191018(272325122629(19)23)1443515(914)30(32)33h359101213H268H21H3(H2831)
MFCD10701616
N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)5(3nitrophenyl)(124)triazolo(15a)pyrimidine7carboxamide
ZINC000036619107
ZINC000036619108

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Available files

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