Vitas-M small molecule compound

ethyl 4-[({[4-ethyl-5-({[(4-methoxyphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK115383
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)CNC(=O)c1ccc(cc1)OC

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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 C24H27N5O5S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O5S/c1-4-29-20(14-25-22(31)16-8-12-19(33-3)13-9-16)27-28-24(29)35-15-21(30)26-18-10-6-17(7-11-18)23(32)34-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,25,31)(H,26,30)
InChIKey
ZLZAAJOOEVUDRL-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)CNC(=O)C3=CC=C(C=C3)OC
ETHYL4((((4ETHYL5((((4METHOXYPHENYL)CARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((((4ETHYL5(((4METHOXYBENZOYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((4ETHYL5(((4METHOXYBENZOYL)AMINO)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC24H27N5O5Sc142920(142522(31)1681219(333)13916)272824(29)351521(30)261810617(71118)23(32)3452h613H451415H213H3(H2531)(H2630)
MFCD04127781
ZINC000008442035
ZINC08442035
ZINC8442035

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Available files

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