Vitas-M small molecule compound
7-methyl-5-(methylsulfonyl)-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL386210
SMILES Cc1cc(C)c(c(c1)C)NC(=O)C1CCN(c2c(O1)ccc(c2)C)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 C21H26N2O4S MW 402.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4S/c1-13-6-7-18-17(12-13)23(28(5,25)26)9-8-19(27-18)21(24)22-20-15(3)10-14(2)11-16(20)4/h6-7,10-12,19H,8-9H2,1-5H3,(H,22,24)InChIKey
OFSPGFPUZRFAFQ-UHFFFAOYSA-NSynonyms
7methyl5(methylsulfonyl)N(246trimethylphenyl)2345tetrahydro15benzoxazepine2carboxamide
7methyl5methylsulfonylN(246trimethylphenyl)34dihydro2H15benzoxazepine2carboxamide
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=C(C=C(C=C3C)C)C
InChI=1SC21H26N2O4Sc113671817(1213)23(28(525)26)9819(2718)21(24)222015(3)1014(2)1116(20)4h67101219H89H215H3(H2224)
MFCD27225322
ZINC000064988646
ZINC000064988648
Check stock
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Check stock on Vitas-MAvailable files
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