Vitas-M small molecule compound

3-{1-[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one

Catalog ID
STL152837
SMILES O=C(C(n1nnc2c(c1=O)cccc2)C)N1CCN(CC1)C1CCS(=O)(=O)C1

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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 C18H23N5O4S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5O4S/c1-13(23-18(25)15-4-2-3-5-16(15)19-20-23)17(24)22-9-7-21(8-10-22)14-6-11-28(26,27)12-14/h2-5,13-14H,6-12H2,1H3
InChIKey
AOWOXQZMKDSERC-UHFFFAOYSA-N
Synonyms

3((2S)1(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)1oxopropan2yl)benzo(d)(123)triazin4(3H)one
3(1(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)1oxopropan2yl)123benzotriazin4(3H)one
3(1(4(11dioxothiolan3yl)piperazin1yl)1oxopropan2yl)123benzotriazin4one
CC(C(=O)N1CCN(CC1)C2CCS(=O)(=O)C2)N3C(=O)C4=CC=CC=C4N=N3
InChI=1SC18H23N5O4Sc113(2318(25)15423516(15)192023)17(24)229721(81022)1461128(2627)1214h251314H612H21H3
MFCD20756499
O=C((C@@H)(n1nnc2c(c1=O)cccc2)C)N1CCN(CC1)C1CCS(=O)(=O)C1
ZINC000061719322
ZINC000071328830

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Available files

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