Vitas-M small molecule compound
2-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK013287
SMILES COc1cc(cc(c1OCc1ccc(cc1)Cl)Br)c1[nH]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 C28H28BrClN2O3S MW 587.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrClN2O3S/c1-28(2,3)17-7-10-19-22(13-17)36-27-23(19)26(33)31-25(32-27)16-11-20(29)24(21(12-16)34-4)35-14-15-5-8-18(30)9-6-15/h5-6,8-9,11-12,17H,7,10,13-14H2,1-4H3,(H,31,32,33)InChIKey
ULKITRSQYRDDNO-UHFFFAOYSA-NSynonyms
2(3bromo4((4chlorobenzyl)oxy)5methoxyphenyl)7tertbutyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3bromo4((4chlorophenyl)methoxy)5methoxyphenyl)7tertbutyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C(=C4)Br)OCC5=CC=C(C=C5)Cl)OC
COc1cc(cc(c1OCc1ccc(cc1)Cl)Br)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C(C)(C)C
InChI=1SC28H28BrClN2O3Sc128(23)177101922(1317)362723(19)26(33)3125(3227)161120(29)24(21(1216)344)3514155818(30)9615h5689111217H7101314H214H3(H313233)
MFCD03566856
STK013287
ZINC000097995542
ZINC000097995543
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