Vitas-M small molecule compound

2-[(4-chlorophenyl)amino]-2-oxoethyl [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate

Catalog ID
STK124476
SMILES CCn1c2ccccc2c2c1nc(SCC(=O)OCC(=O)Nc1ccc(cc1)Cl)nn2

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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 C21H18ClN5O3S MW 455.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O3S/c1-2-27-16-6-4-3-5-15(16)19-20(27)24-21(26-25-19)31-12-18(29)30-11-17(28)23-14-9-7-13(22)8-10-14/h3-10H,2,11-12H2,1H3,(H,23,28)
InChIKey
IKZQFHQCSBTSIE-UHFFFAOYSA-N
Synonyms

(2(4CHLOROANILINO)2OXOETHYL)2((5ETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETATE
2((4CHLOROPHENYL)AMINO)2OXOETHYL((5ETHYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETATE
2(4CHLOROANILINO)2OXOETHYL((5ETHYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETATE
CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=C(C=C4)Cl
InChI=1SC21H18ClN5O3Sc122716643515(16)1920(27)2421(262519)311218(29)301117(28)23149713(22)81014h310H21112H21H3(H2328)
MFCD02734360
ZINC000000877560
ZINC00877560
ZINC877560

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Available files

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