Vitas-M small molecule compound
3,3,7,8-tetramethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK326248
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1ccc(s1)[N+](=O)[O-]
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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-11-7-13-14(8-12(11)2)23-20(17-5-6-18(28-17)24(26)27)19-15(22-13)9-21(3,4)10-16(19)25/h5-8,20,22-23H,9-10H2,1-4H3InChIKey
YQUXWNJXUAXPHQ-UHFFFAOYSA-NSynonyms
2399tetramethyl6(5nitrothiophen2yl)681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
3378tetramethyl11(5nitrothiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=C(S4)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC21H23N3O3Sc11171314(812(11)2)2320(175618(2817)24(26)27)1915(2213)921(34)1016(19)25h58202223H910H214H3
MFCD02104509
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1ccc(s1)(N+)(=O)(O)
ZINC000001067230
ZINC000001067233
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