Vitas-M small molecule compound

3-(1H-indol-3-ylmethyl)-7,7,8a-trimethyl-5-thioxotetrahydro-5H-[1,3]oxazolo[3,2-c]pyrimidin-2(3H)-one

Catalog ID
STK685278
SMILES O=C1OC2(N(C1Cc1c[nH]c3c1cccc3)C(=S)NC(C2)(C)C)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 C18H21N3O2S MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O2S/c1-17(2)10-18(3)21(16(24)20-17)14(15(22)23-18)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9,14,19H,8,10H2,1-3H3,(H,20,24)
InChIKey
MAXHHMPWNKIELD-UHFFFAOYSA-N
Synonyms

(3R8AR)3(1HINDOL3YLMETHYL)778ATRIMETHYL5THIOXOTETRAHYDRO5H(13)OXAZOLO(32C)PYRIMIDIN2(3H)ONE
(3R8AS)3(1HINDOL3YLMETHYL)778ATRIMETHYL5THIOXOTETRAHYDRO5H(13)OXAZOLO(32C)PYRIMIDIN2(3H)ONE
3(1HINDOL3YLMETHYL)778ATRIMETHYL5SULFANYLIDENE68DIHYDRO3H(13)OXAZOLO(32C)PYRIMIDIN2ONE
3(1Hindol3ylmethyl)778atrimethyl5thioxotetrahydro5H(13)oxazolo(32c)pyrimidin2(3H)one
5HOXAZOLO(32C)PYRIMIDIN2(3H)ONETETRAHYDRO3(1HINDOL3YLMETHYL)778ATRIMETHYL5THIOXO
CC1(CC2(N(C(C(=O)O2)CC3=CNC4=CC=CC=C43)C(=S)N1)C)C
InChI=1SC18H21N3O2Sc117(2)1018(3)21(16(24)2017)14(15(22)2318)81191913754612(11)13h4791419H810H213H3(H2024)
MFCD05858153
O=C1OC2(N(C1Cc1c(nH)c3c1cccc3)C(=S)NC(C2)(C)C)C
ZINC000001428958
ZINC000001428961

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.