Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK698961
SMILES CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCCC3
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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 C29H40N2O2S MW 480.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O2S/c1-4-5-11-18-34-27-30-25-23-13-8-7-12-21(23)19-29(15-9-6-10-16-29)24(25)26(32)31(27)22-14-17-33-28(2,3)20-22/h7-8,12-13,22H,4-6,9-11,14-20H2,1-3H3InChIKey
GCMAZKBCXWLYOR-UHFFFAOYSA-NSynonyms
303953-21-13(22DIMETHYLOXAN4YL)2PENTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(22dimethyltetrahydro2Hpyran4yl)2(pentylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(22dimethyltetrahydro2Hpyran4yl)2(pentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
303953211
CCCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC29H40N2O2Sc1451118342730252313871221(23)1929(1596101629)24(25)26(32)31(27)2214173328(23)2022h78121322H469111420H213H3
MFCD01807199
ZINC000002266638
ZINC000002266639
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