Vitas-M small molecule compound

6-tert-butyl-N-(2-ethyl-6-methylphenyl)-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Catalog ID
STL385382
SMILES CCc1cccc(c1NC(=O)C1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccccc1)C(C)(C)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 C28H32N2O4S MW 492.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O4S/c1-6-20-12-10-11-19(2)26(20)29-27(31)25-18-30(35(32,33)22-13-8-7-9-14-22)23-17-21(28(3,4)5)15-16-24(23)34-25/h7-17,25H,6,18H2,1-5H3,(H,29,31)
InChIKey
VWMWIHJOFVJRMN-UHFFFAOYSA-N
Synonyms

4(benzenesulfonyl)6tertbutylN(2ethyl6methylphenyl)23dihydro14benzoxazine2carboxamide
6tertbutylN(2ethyl6methylphenyl)4(phenylsulfonyl)34dihydro2H14benzoxazine2carboxamide
CCC1=CC=CC(=C1NC(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C4=CC=CC=C4)C
InChI=1SC28H32N2O4Sc162012101119(2)26(20)2927(31)251830(35(3233)22138791422)231721(28(34)5)151624(23)3425h71725H618H215H3(H2931)
MFCD27217408
ZINC000064985601
ZINC000064985603

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Available files

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