Vitas-M small molecule compound
4-(7-tert-butyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Catalog ID
STK213646
SMILES COc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(C)(C)C
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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 C30H32N2O4S MW 516.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O4S/c1-30(2,3)20-10-15-23-24(17-20)37-29-26(23)28(34)31-27(32-29)19-8-13-22(14-9-19)36-25(33)16-7-18-5-11-21(35-4)12-6-18/h5-9,11-14,16,20,27,32H,10,15,17H2,1-4H3,(H,31,34)/b16-7+InChIKey
MCBMMCVMSAWFAU-FRKPEAEDSA-NSynonyms
(4(7tertbutyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)(E)3(4methoxyphenyl)prop2enoate
4(7tertbutyl4hydroxy125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl(2E)3(4methoxyphenyl)prop2enoate
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C=CC5=CC=C(C=C5)OC
COc1ccc(cc1)C=CC(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(C)(C)C
InChI=1SC30H32N2O4Sc130(23)2010152324(1720)372926(23)28(34)3127(3229)1981322(14919)3625(33)1671851121(354)12618h59111416202732H101517H214H3(H3134)b167+
MFCD07436901
ZINC000010058969
ZINC000010058972
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