Vitas-M small molecule compound
3,3-dimethyl-11-(3-nitrophenyl)-1-oxo-N-(prop-2-en-1-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STK003876
SMILES C=CCNC(=S)N1C(c2cccc(c2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CC(CC2=O)(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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c1-4-12-26-24(33)28-20-11-6-5-10-18(20)27-19-14-25(2,3)15-21(30)22(19)23(28)16-8-7-9-17(13-16)29(31)32/h4-11,13,23,27H,1,12,14-15H2,2-3H3,(H,26,33)InChIKey
AURBOXKUZGSXTD-UHFFFAOYSA-NSynonyms
33DIMETHYL11(3NITROPHENYL)10((PROP2ENYLAMINO)THIOXOMETHYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
33dimethyl11(3nitrophenyl)1oxoN(prop2en1yl)1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
99dimethyl6(3nitrophenyl)7oxoNprop2enyl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
C=CCNC(=S)N1C(c2cccc(c2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NCC=C)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H26N4O3Sc14122624(33)282011651018(20)27191425(23)1521(30)22(19)23(28)1687917(1316)29(31)32h411132327H1121415H223H3(H2633)
MFCD02214884
STK003876
ZINC000008916642
ZINC000008916644
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