Vitas-M small molecule compound
N-(butan-2-yl)-7-methyl-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Catalog ID
STL385489
SMILES CCC(NC(=O)C1Oc2cc(C)ccc2N(C1)S(=O)(=O)c1ccc(cc1)C)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/c1-5-16(4)22-21(24)20-13-23(18-11-8-15(3)12-19(18)27-20)28(25,26)17-9-6-14(2)7-10-17/h6-12,16,20H,5,13H2,1-4H3,(H,22,24)InChIKey
TVPYGCCKSNZWDM-UHFFFAOYSA-NSynonyms
CCC(C)NC(=O)C1CN(C2=C(O1)C=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C
InChI=1SC21H26N2O4Sc1516(4)2221(24)201323(1811815(3)1219(18)2720)28(2526)179614(2)71017h6121620H513H214H3(H2224)
MFCD27217524
N(butan2yl)7methyl4((4methylphenyl)sulfonyl)34dihydro2H14benzoxazine2carboxamide
Nbutan2yl7methyl4(4methylphenyl)sulfonyl23dihydro14benzoxazine2carboxamide
ZINC000064985940
ZINC000064985943
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