Vitas-M small molecule compound
2-{3-chloro-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK014743
SMILES CCc1cc(OCCOc2c(Cl)cc(cc2OC)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(c1)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 C28H29ClN2O4S MW 525.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN2O4S/c1-4-17-11-16(2)12-19(13-17)34-9-10-35-25-21(29)14-18(15-22(25)33-3)26-30-27(32)24-20-7-5-6-8-23(20)36-28(24)31-26/h11-15H,4-10H2,1-3H3,(H,30,31,32)InChIKey
LLEGVHIUEJFBAD-UHFFFAOYSA-NSynonyms
2(3chloro4(2(3ethyl5methylphenoxy)ethoxy)5methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro4(2(3ethyl5methylphenoxy)ethoxy)5methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
2(3chloro4(2(3ethyl5methylphenoxy)ethoxy)5methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CCC1=CC(=CC(=C1)C)OCCOC2=C(C=C(C=C2Cl)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
CCc1cc(OCCOc2c(Cl)cc(cc2OC)c2nc3sc4c(c3c(=O)(nH)2)CCCC4)cc(c1)C
InChI=1SC28H29ClN2O4Sc14171116(2)1219(1317)34910352521(29)1418(1522(25)333)263027(32)2420756823(20)3628(24)3126h1115H410H213H3(H303132)
MFCD02998436
STK014743
ZINC000018276170
ZINC18276170
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