Vitas-M small molecule compound
2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STL093937
SMILES CC(CCn1c(SCC(=O)Nc2c(C)cc(cc2C)C)nc2c(c1=O)oc1c2cccc1)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 C26H29N3O3S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3S/c1-15(2)10-11-29-25(31)24-23(19-8-6-7-9-20(19)32-24)28-26(29)33-14-21(30)27-22-17(4)12-16(3)13-18(22)5/h6-9,12-13,15H,10-11,14H2,1-5H3,(H,27,30)InChIKey
PUVMXSKILYXOTA-UHFFFAOYSA-NSynonyms
900003-47-62((3(3methylbutyl)4oxo(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((3(3methylbutyl)4oxo34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((3ISOPENTYL4OXO34DIHYDROBENZOFURO(32D)PYRIMIDIN2YL)THIO)NMESITYLACETAMIDE
900003476
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)OC4=CC=CC=C43)C
InChI=1SC26H29N3O3Sc115(2)10112925(31)2423(19867920(19)3224)2826(29)331421(30)272217(4)1216(3)1318(22)5h69121315H101114H215H3(H2730)
MFCD07650787
ZINC000009751445
ZINC09751445
ZINC9751445
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