Vitas-M small molecule compound
2-[(2-methylbenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK553018
SMILES C=CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)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/c1-3-17-30-26(31)24-25(29-27(30)32-19-22-13-6-5-11-20(22)2)23-14-8-7-12-21(23)18-28(24)15-9-4-10-16-28/h3,5-8,11-14H,1,4,9-10,15-19H2,2H3InChIKey
XCZYEMIWKUQXCK-UHFFFAOYSA-NSynonyms
799785-51-62((2methylbenzyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2METHYLPHENYL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3allyl2((2methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
799785516
CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53
InChI=1SC28H30N2OSc13173026(31)2425(2927(30)32192213651120(22)2)2314871221(23)1828(24)1594101628h3581114H149101519H22H3
MFCD03675339
ZINC000002213586
ZINC02213586
ZINC2213586
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