Vitas-M small molecule compound
propan-2-yl 3-{[({5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK126249
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC(C)C)nnc1COc1c(C)cccc1C
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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 C25H30N4O4S MW 482.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4S/c1-6-29-21(14-32-23-17(4)9-7-10-18(23)5)27-28-25(29)34-15-22(30)26-20-12-8-11-19(13-20)24(31)33-16(2)3/h7-13,16H,6,14-15H2,1-5H3,(H,26,30)InChIKey
YXGDPWJXQAZLCZ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)COC3=C(C=CC=C3C)C
InChI=1SC25H30N4O4Sc162921(14322317(4)971018(23)5)272825(29)341522(30)26201281119(1320)24(31)3316(2)3h71316H61415H215H3(H2630)
MFCD04214035
PROPAN2YL3((((5((26DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((5((26DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000001128500
ZINC01128500
ZINC1128500
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