Vitas-M small molecule compound
7-methyl-5-(methylsulfonyl)-N-{2-[(tetrahydrofuran-2-ylmethyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL386127
SMILES O=C(C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)C)Nc1ccccc1C(=O)NCC1CCCO1
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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 C24H29N3O6S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O6S/c1-16-9-10-21-20(14-16)27(34(2,30)31)12-11-22(33-21)24(29)26-19-8-4-3-7-18(19)23(28)25-15-17-6-5-13-32-17/h3-4,7-10,14,17,22H,5-6,11-13,15H2,1-2H3,(H,25,28)(H,26,29)InChIKey
RVAFOFOKFHPDDJ-UHFFFAOYSA-NSynonyms
7methyl5(methylsulfonyl)N(2((tetrahydrofuran2ylmethyl)carbamoyl)phenyl)2345tetrahydro15benzoxazepine2carboxamide
7methyl5methylsulfonylN(2(oxolan2ylmethylcarbamoyl)phenyl)34dihydro2H15benzoxazepine2carboxamide
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=CC=CC=C3C(=O)NCC4CCCO4
InChI=1SC24H29N3O6Sc1169102120(1416)27(34(230)31)121122(3321)24(29)2619843718(19)23(28)25151765133217h34710141722H56111315H212H3(H2528)(H2629)
MFCD27225242
ZINC000064988406
ZINC000245280756
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