Vitas-M small molecule compound
3,3-dimethyl-10-[(pyrimidin-2-ylsulfanyl)acetyl]-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK263081
SMILES O=C1CC(C)(C)CC2=C1C(c1cccs1)N(C(=O)CSc1ncccn1)c1c(N2)cccc1
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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 C25H24N4O2S2 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O2S2/c1-25(2)13-17-22(19(30)14-25)23(20-9-5-12-32-20)29(18-8-4-3-7-16(18)28-17)21(31)15-33-24-26-10-6-11-27-24/h3-12,23,28H,13-15H2,1-2H3InChIKey
JPQSEAIAMVIHQK-UHFFFAOYSA-NSynonyms
895362-39-733dimethyl10((pyrimidin2ylsulfanyl)acetyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl10(2(pyrimidin2ylthio)acetyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33DIMETHYL10(2PYRIMIDIN2YLTHIOACETYL)11(2THIENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
895362397
99dimethyl5(2pyrimidin2ylsulfanylacetyl)6thiophen2yl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CSC4=NC=CC=N4)C5=CC=CS5)C(=O)C1)C
InChI=1SC25H24N4O2S2c125(2)131722(19(30)1425)23(2095123220)29(18843716(18)2817)21(31)15332426106112724h3122328H1315H212H3
MFCD07642692
ZINC000009483699
ZINC000018244467
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