Vitas-M small molecule compound
2-ethoxy-4-[4-hydroxy-7-(propan-2-yl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]phenyl naphthalene-1-carboxylate
Catalog ID
STK384394
SMILES CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)C1N=C(O)c2c(N1)sc1c2CCN(C1)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 C31H31N3O4S MW 541.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4S/c1-4-37-25-16-20(12-13-24(25)38-31(36)22-11-7-9-19-8-5-6-10-21(19)22)28-32-29(35)27-23-14-15-34(18(2)3)17-26(23)39-30(27)33-28/h5-13,16,18,28,33H,4,14-15,17H2,1-3H3,(H,32,35)InChIKey
BVAVQFUZFPRRSB-UHFFFAOYSA-NSynonyms
(2ethoxy4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)naphthalene1carboxylate
2ethoxy4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenylnaphthalene1carboxylate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)C(C)C)C(=O)N2)OC(=O)C5=CC=CC6=CC=CC=C65
InChI=1SC31H31N3O4Sc1437251620(121324(25)3831(36)221179198561021(19)22)283229(35)2723141534(18(2)3)1726(23)3930(27)3328h51316182833H4141517H213H3(H3235)
MFCD04041579
ZINC000102096558
ZINC000102096563
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