Vitas-M small molecule compound

2-[(4-chlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK541321
SMILES C=CCn1c(SCc2ccc(cc2)Cl)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 C27H27ClN2OS MW 463.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2OS/c1-2-16-30-25(31)23-24(29-26(30)32-18-19-10-12-21(28)13-11-19)22-9-5-4-8-20(22)17-27(23)14-6-3-7-15-27/h2,4-5,8-13H,1,3,6-7,14-18H2
InChIKey
USDACXHZGYISJA-UHFFFAOYSA-N
Synonyms
371131-65-6
2((4chlorobenzyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4CHLOROPHENYL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
371131656
3allyl2((4chlorobenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)Cl
InChI=1SC27H27ClN2OSc12163025(31)2324(2926(30)321819101221(28)131119)22954820(22)1727(23)146371527h245813H13671418H2
MFCD03008408
ZINC000002314313
ZINC02314313
ZINC2314313

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Available files

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