Vitas-M small molecule compound

3-ethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one

Catalog ID
STL104990
SMILES CCn1c(SCC(=O)N2CCOc3c2cc(C)cc3)nc2c(c1=O)scc2c1ccc(cc1)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 C26H25N3O3S2 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S2/c1-4-28-25(31)24-23(19(14-33-24)18-8-5-16(2)6-9-18)27-26(28)34-15-22(30)29-11-12-32-21-10-7-17(3)13-20(21)29/h5-10,13-14H,4,11-12,15H2,1-3H3
InChIKey
ZRGNCAMMNWJTFI-UHFFFAOYSA-N
Synonyms
1040651-60-2
1040651602
3ethyl2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)7(4methylphenyl)thieno(32d)pyrimidin4(3H)one
3ETHYL2((2(6METHYL23DIHYDRO4H14BENZOXAZIN4YL)2OXOETHYL)THIO)7(4METHYLPHENYL)THIENO(32D)PYRIMIDIN4(3H)ONE
3ETHYL2((2(6METHYL2HBENZO(B)(14)OXAZIN4(3H)YL)2OXOETHYL)THIO)7(PTOLYL)THIENO(32D)PYRIMIDIN4(3H)ONE
3ethyl2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanyl7(4methylphenyl)thieno(32d)pyrimidin4one
CCN1C(=O)C2=C(C(=CS2)C3=CC=C(C=C3)C)N=C1SCC(=O)N4CCOC5=C4C=C(C=C5)C
InChI=1SC26H25N3O3S2c142825(31)2423(19(143324)188516(2)6918)2726(28)341522(30)291112322110717(3)1320(21)29h5101314H4111215H213H3
MFCD11997479
ZINC000016846248
ZINC16846248

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Available files

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