Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STL365561
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)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 C22H22ClN5O3S MW 471.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3S/c1-13-8-9-15(23)10-16(13)24-19(29)12-32-22-26-25-21(27(22)3)14(2)28-17-6-4-5-7-18(17)31-11-20(28)30/h4-10,14H,11-12H2,1-3H3,(H,24,29)InChIKey
FOHJFTOMGLQDAF-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C)C(C)N3C(=O)COC4=CC=CC=C43
InChI=1SC22H22ClN5O3Sc1138915(23)1016(13)2419(29)123222262521(27(22)3)14(2)2817645718(17)311120(28)30h41014H1112H213H3(H2429)
MFCD09476486
N(5chloro2methylphenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(5chloro2methylphenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019287
ZINC000015019288
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