Vitas-M small molecule compound
4-[4,4-bis(4-methylphenyl)-1,4-dihydro-2H-3,1-benzoxazin-2-yl]-N,N-dimethyl-2-nitroaniline
Catalog ID
STK736414
SMILES Cc1ccc(cc1)C1(OC(Nc2c1cccc2)c1ccc(c(c1)[N+](=O)[O-])N(C)C)c1ccc(cc1)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 C30H29N3O3 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3/c1-20-9-14-23(15-10-20)30(24-16-11-21(2)12-17-24)25-7-5-6-8-26(25)31-29(36-30)22-13-18-27(32(3)4)28(19-22)33(34)35/h5-19,29,31H,1-4H3InChIKey
GRXFOBRWPNBELO-UHFFFAOYSA-NSynonyms
4(44BIS(4METHYLPHENYL)12DIHYDRO31BENZOXAZIN2YL)NNDIMETHYL2NITROANILINE
4(44bis(4methylphenyl)14dihydro2H31benzoxazin2yl)NNdimethyl2nitroaniline
CC1=CC=C(C=C1)C2(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)N(C)C)(N+)(=O)(O))C5=CC=C(C=C5)C
Cc1ccc(cc1)C1(OC(Nc2c1cccc2)c1ccc(c(c1)(N+)(=O)(O))N(C)C)c1ccc(cc1)C
InChI=1SC30H29N3O3c12091423(151020)30(24161121(2)121724)25756826(25)3129(3630)22131827(32(3)4)28(1922)33(34)35h5192931H14H3
MFCD07658207
ZINC000012447652
ZINC000012447653
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