Vitas-M small molecule compound

ethyl 4-methyl-2-{[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino}-1,3-thiazole-5-carboxylate

Catalog ID
STK037941
SMILES CCOC(=O)c1sc(nc1C)NC(=O)CSc1nnc2c(n1)[nH]c1c2cccc1

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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 C18H16N6O3S2 MW 428.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O3S2/c1-3-27-16(26)14-9(2)19-17(29-14)21-12(25)8-28-18-22-15-13(23-24-18)10-6-4-5-7-11(10)20-15/h4-7H,3,8H2,1-2H3,(H,19,21,25)(H,20,22,24)
InChIKey
ZDOSMGLHVFTHQN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)C
CCOC(=O)c1sc(nc1C)NC(=O)CSc1nnc2c(n1)(nH)c1c2cccc1
ETHYL4METHYL2(((5H(124)TRIAZINO(56B)INDOL3YLSULFANYL)ACETYL)AMINO)13THIAZOLE5CARBOXYLATE
ETHYL4METHYL2((2(5H(124)TRIAZINO(56B)INDOL3YLSULFANYL)ACETYL)AMINO)13THIAZOLE5CARBOXYLATE
InChI=1SC18H16N6O3S2c132716(26)149(2)1917(2914)2112(25)82818221513(232418)10645711(10)2015h47H38H212H3(H192125)(H202224)
MFCD03145849
STK037941
ZINC000002751043
ZINC02751043
ZINC2751043

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.