Vitas-M small molecule compound
methyl 2-chloro-5-{[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK142090
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1C)COc1cccc(c1)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 C21H21ClN4O4S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O4S/c1-13-5-4-6-15(9-13)30-11-18-24-25-21(26(18)2)31-12-19(27)23-14-7-8-17(22)16(10-14)20(28)29-3/h4-10H,11-12H2,1-3H3,(H,23,27)InChIKey
BLFDNFIKZYXECV-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC
InChI=1SC21H21ClN4O4Sc11354615(913)301118242521(26(18)2)311219(27)23147817(22)16(1014)20(28)293h410H1112H213H3(H2327)
METHYL2CHLORO5((((4METHYL5((3METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((((4METHYL5((3METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((2((4METHYL5((3METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04151628
ZINC000008400836
ZINC08400836
ZINC8400836
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