Vitas-M small molecule compound
N-benzyl-2-[6,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetamide
Catalog ID
STL443550
SMILES O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1sc1c2CC(OC1)(C)C)NCc1ccccc1
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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 C28H29N3O4S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S/c1-28(2)15-21-22(18-35-28)36-26-24(21)25(33)30(14-13-19-9-5-3-6-10-19)27(34)31(26)17-23(32)29-16-20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3,(H,29,32)InChIKey
HTXDTCCGKHXCEL-UHFFFAOYSA-NSynonyms
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)NCC4=CC=CC=C4)CCC5=CC=CC=C5)C
InChI=1SC28H29N3O4Sc128(2)152122(183528)362624(21)25(33)30(14131995361019)27(34)31(26)1723(32)291620117481220h312H1318H212H3(H2932)
MFCD07773636
Nbenzyl2(66dimethyl24dioxo3(2phenylethyl)3458tetrahydro2Hpyrano(4345)thieno(23d)pyrimidin1(6H)yl)acetamide
Nbenzyl2(66dimethyl24dioxo3(2phenylethyl)58dihydropyrano(23)thieno(24b)pyrimidin1yl)acetamide
ZINC000008769903
ZINC8769903
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