Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-3-(prop-2-en-1-yl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Catalog ID
STK699825
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C(C)(C)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 C25H23BrN2O2S MW 495.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O2S/c1-4-13-28-23(30)21-22(19-8-6-5-7-17(19)14-25(21,2)3)27-24(28)31-15-20(29)16-9-11-18(26)12-10-16/h4-12H,1,13-15H2,2-3H3InChIKey
YXMXHMOGFRQSLH-UHFFFAOYSA-NSynonyms
352700-26-62((2(4bromophenyl)2oxoethyl)sulfanyl)55dimethyl3(prop2en1yl)56dihydrobenzo(h)quinazolin4(3H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL55DIMETHYL3PROP2ENYL6HBENZO(H)QUINAZOLIN4ONE
352700266
3ALLYL2((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)55DIMETHYL56DIHYDROBENZO(H)QUINAZOLIN4(3H)ONE
3allyl2((2(4bromophenyl)2oxoethyl)thio)55dimethyl56dihydrobenzo(h)quinazolin4(3H)one
CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)CC=C)C
InChI=1SC25H23BrN2O2Sc14132823(30)2122(19865717(19)1425(212)3)2724(28)311520(29)1691118(26)121016h412H11315H223H3
MFCD01558259
ZINC000002084891
ZINC02084891
ZINC2084891
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