Vitas-M small molecule compound

ethyl 3-{[({[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}acetyl)amino]methyl}-4-methylbenzoate

Catalog ID
STK272087
SMILES CCOC(=O)c1ccc(c(c1)CNC(=O)CSc1nc2c(o1)c(cc(c2)C)n1nc2c(n1)cccc2)C

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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 C27H25N5O4S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O4S/c1-4-35-26(34)18-10-9-17(3)19(13-18)14-28-24(33)15-37-27-29-22-11-16(2)12-23(25(22)36-27)32-30-20-7-5-6-8-21(20)31-32/h5-13H,4,14-15H2,1-3H3,(H,28,33)
InChIKey
OUYJCTFCKLWZMO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NC3=C(O2)C(=CC(=C3)C)N4N=C5C=CC=CC5=N4
ethyl3(((((7(2Hbenzotriazol2yl)5methyl13benzoxazol2yl)sulfanyl)acetyl)amino)methyl)4methylbenzoate
ETHYL3(((2((7(BENZOTRIAZOL2YL)5METHYL13BENZOXAZOL2YL)SULFANYL)ACETYL)AMINO)METHYL)4METHYLBENZOATE
InChI=1SC27H25N5O4Sc143526(34)1810917(3)19(1318)142824(33)15372729221116(2)1223(25(22)3627)323020756821(20)3132h513H41415H213H3(H2833)
MFCD06616577
ZINC000009614356
ZINC09614356
ZINC9614356

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Available files

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