Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]
Catalog ID
STK940167
SMILES C1CCC2(CC1)Cc1ccccc1c1c2c(nc(n1)SCc1ccccc1)N1CCCC1
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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 C28H31N3S MW 441.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3S/c1-3-11-21(12-4-1)20-32-27-29-25-23-14-6-5-13-22(23)19-28(15-7-2-8-16-28)24(25)26(30-27)31-17-9-10-18-31/h1,3-6,11-14H,2,7-10,15-20H2InChIKey
BCHPYIBDTMRCDI-UHFFFAOYSA-NSynonyms
845630-12-82(benzylsulfanyl)4(pyrrolidin1yl)6Hspiro(benzo(h)quinazoline51cyclohexane)
2(benzylthio)4(pyrrolidin1yl)6Hspiro(benzo(h)quinazoline51cyclohexane)
2BENZYLSULFANYL4PYRROLIDIN1YLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)
845630128
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCC6
InChI=1SC28H31N3Sc131121(1241)20322729252314651322(23)1928(157281628)24(25)26(3027)31179101831h1361114H27101520H2
MFCD04166071
ZINC000002412907
ZINC02412907
ZINC2412907
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