Vitas-M small molecule compound
2-[(2,4-dimethylbenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STL296595
SMILES C=CCn1c(SCc2ccc(cc2C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
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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 C28H30N2OS MW 442.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2OS/c1-4-15-30-26(31)24-25(29-27(30)32-18-22-12-11-19(2)16-20(22)3)23-10-6-5-9-21(23)17-28(24)13-7-8-14-28/h4-6,9-12,16H,1,7-8,13-15,17-18H2,2-3H3InChIKey
BXBSLJLRSYAPPY-UHFFFAOYSA-NSynonyms
372085-52-42((24dimethylbenzyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((24DIMETHYLPHENYL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
372085524
3allyl2((24dimethylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCC4)CC5=CC=CC=C53)C
InChI=1SC28H30N2OSc14153026(31)2425(2927(30)321822121119(2)1620(22)3)231065921(23)1728(24)13781428h4691216H17813151718H223H3
MFCD01876571
ZINC000002271894
ZINC02271894
ZINC2271894
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