Vitas-M small molecule compound
6-tert-butyl-N-(2,5-dimethylphenyl)-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Catalog ID
STL385348
SMILES O=C(C1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccccc1)C(C)(C)C)Nc1cc(C)ccc1C
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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 C27H30N2O4S MW 478.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4S/c1-18-11-12-19(2)22(15-18)28-26(30)25-17-29(34(31,32)21-9-7-6-8-10-21)23-16-20(27(3,4)5)13-14-24(23)33-25/h6-16,25H,17H2,1-5H3,(H,28,30)InChIKey
LUIOWESKRWCULT-UHFFFAOYSA-NSynonyms
4(benzenesulfonyl)6tertbutylN(25dimethylphenyl)23dihydro14benzoxazine2carboxamide
6tertbutylN(25dimethylphenyl)4(phenylsulfonyl)34dihydro2H14benzoxazine2carboxamide
CC1=CC(=C(C=C1)C)NC(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C4=CC=CC=C4
InChI=1SC27H30N2O4Sc118111219(2)22(1518)2826(30)251729(34(3132)2197681021)231620(27(34)5)131424(23)3325h61625H17H215H3(H2830)
MFCD27217375
ZINC000064985483
ZINC000064985485
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