Vitas-M small molecule compound
7-chloro-N-[4-(cyanomethyl)phenyl]-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389751
SMILES N#CCc1ccc(cc1)NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)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 C19H18ClN3O4S MW 419.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O4S/c1-28(25,26)23-11-9-18(27-17-7-4-14(20)12-16(17)23)19(24)22-15-5-2-13(3-6-15)8-10-21/h2-7,12,18H,8-9,11H2,1H3,(H,22,24)InChIKey
YFONJHZMKVQJIE-UHFFFAOYSA-NSynonyms
7chloroN(4(cyanomethyl)phenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(4(cyanomethyl)phenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N
InChI=1SC19H18ClN3O4Sc128(2526)2311918(27177414(20)1216(17)23)19(24)22155213(3615)81021h271218H8911H21H3(H2224)
MFCD13985378
ZINC000038849893
ZINC000038849894
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