Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-6-[2,4-dioxo-1-(2,4,6-trimethylbenzyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Catalog ID
STL145609
SMILES O=C(NCc1ccc2c(c1)OCO2)CCCCCn1c(=O)c2sccc2n(c1=O)Cc1c(C)cc(cc1C)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 C30H33N3O5S MW 547.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O5S/c1-19-13-20(2)23(21(3)14-19)17-33-24-10-12-39-28(24)29(35)32(30(33)36)11-6-4-5-7-27(34)31-16-22-8-9-25-26(15-22)38-18-37-25/h8-10,12-15H,4-7,11,16-18H2,1-3H3,(H,31,34)InChIKey
BPPNPMXXVFIRLO-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C(=C1)C)CN2C3=C(C(=O)N(C2=O)CCCCCC(=O)NCC4=CC5=C(C=C4)OCO5)SC=C3)C
InChI=1SC30H33N3O5Sc1191320(2)23(21(3)1419)17332410123928(24)29(35)32(30(33)36)11645727(34)311622892526(1522)38183725h8101215H47111618H213H3(H3134)
MFCD14734559
N(13benzodioxol5ylmethyl)6(24dioxo1((246trimethylphenyl)methyl)thieno(32d)pyrimidin3yl)hexanamide
N(13benzodioxol5ylmethyl)6(24dioxo1(246trimethylbenzyl)14dihydrothieno(32d)pyrimidin3(2H)yl)hexanamide
ZINC000008593191
ZINC8593191
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