Vitas-M small molecule compound
7-tert-butyl-2-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK026300
SMILES CCOc1cc(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 C31H36N2O4S MW 532.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O4S/c1-5-35-25-18-20(12-15-24(25)37-17-9-16-36-22-10-7-6-8-11-22)28-32-29(34)27-23-14-13-21(31(2,3)4)19-26(23)38-30(27)33-28/h6-8,10-12,15,18,21H,5,9,13-14,16-17,19H2,1-4H3,(H,32,33,34)InChIKey
DHHLGBSTVLXGLT-UHFFFAOYSA-NSynonyms
7tertbutyl2(3ethoxy4(3phenoxypropoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2(3ethoxy4(3phenoxypropoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2)OCCCOC5=CC=CC=C5
CCOc1cc(ccc1OCCCOc1ccccc1)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C(C)(C)C
InChI=1SC31H36N2O4Sc1535251820(121524(25)37179163622107681122)283229(34)2723141321(31(23)4)1926(23)3830(27)3328h681012151821H591314161719H214H3(H323334)
MFCD03254653
STK026300
ZINC000009113267
ZINC000013940641
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