Vitas-M small molecule compound

4-bromo-2-(7-tert-butyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl (2E)-3-(furan-2-yl)prop-2-enoate

Catalog ID
STK213647
SMILES O=C(Oc1ccc(cc1C1N=C(O)c2c(N1)sc1c2CCC(C1)C(C)(C)C)Br)/C=C/c1ccco1

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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 C27H27BrN2O4S MW 555.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN2O4S/c1-27(2,3)15-6-9-18-21(13-15)35-26-23(18)25(32)29-24(30-26)19-14-16(28)7-10-20(19)34-22(31)11-8-17-5-4-12-33-17/h4-5,7-8,10-12,14-15,24,30H,6,9,13H2,1-3H3,(H,29,32)/b11-8+
InChIKey
PVNSUKVUVOJWCQ-DHZHZOJOSA-N
Synonyms

(4bromo2(7tertbutyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)(E)3(furan2yl)prop2enoate
4bromo2(7tertbutyl4hydroxy125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl(2E)3(furan2yl)prop2enoate
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=CC(=C4)Br)OC(=O)C=CC5=CC=CO5
InChI=1SC27H27BrN2O4Sc127(23)15691821(1315)352623(18)25(32)2924(3026)191416(28)71020(19)3422(31)1181754123317h4578101214152430H6913H213H3(H2932)b118+
MFCD07436902
O=C(Oc1ccc(cc1C1N=C(O)c2c(N1)sc1c2CCC(C1)C(C)(C)C)Br)C=Cc1ccco1
ZINC000097961745
ZINC000097961748

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Available files

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