Vitas-M small molecule compound
7-tert-butyl-2-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK020742
SMILES COc1cc(ccc1OCCCOc1ccccc1)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 C30H34N2O4S MW 518.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O4S/c1-30(2,3)20-12-13-22-25(18-20)37-29-26(22)28(33)31-27(32-29)19-11-14-23(24(17-19)34-4)36-16-8-15-35-21-9-6-5-7-10-21/h5-7,9-11,14,17,20H,8,12-13,15-16,18H2,1-4H3,(H,31,32,33)InChIKey
HDAKQERIXRCBLL-UHFFFAOYSA-NSynonyms
7tertbutyl2(3methoxy4(3phenoxypropoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2(3methoxy4(3phenoxypropoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C=C4)OCCCOC5=CC=CC=C5)OC
COc1cc(ccc1OCCCOc1ccccc1)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C(C)(C)C
InChI=1SC30H34N2O4Sc130(23)2012132225(1820)372926(22)28(33)3127(3229)19111423(24(1719)344)3616815352196571021h57911141720H81213151618H214H3(H313233)
MFCD03570579
STK020742
ZINC000009057148
ZINC000013940347
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