Vitas-M small molecule compound
1'-oxo-2'-(tetrahydrofuran-2-ylmethyl)-N-[(2E)-1,3,4-thiadiazol-2(3H)-ylidene]-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL250619
SMILES O=C(C1c2ccccc2C(=O)N(C21CCCC2)CC1CCCO1)/N=c\1/scn[nH]1
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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 C21H24N4O3S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S/c26-18(23-20-24-22-13-29-20)17-15-7-1-2-8-16(15)19(27)25(12-14-6-5-11-28-14)21(17)9-3-4-10-21/h1-2,7-8,13-14,17H,3-6,9-12H2,(H,23,24,26)InChIKey
YOQPFTGIHXJWIK-UHFFFAOYSA-NSynonyms
1351671-71-01351671710
1oxo2(oxolan2ylmethyl)N(134thiadiazol2yl)spiro(4Hisoquinoline31cyclopentane)4carboxamide
1oxo2(tetrahydrofuran2ylmethyl)N((2E)134thiadiazol2(3H)ylidene)14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
C1CCC2(C1)C(C3=CC=CC=C3C(=O)N2CC4CCCO4)C(=O)NC5=NN=CS5
InChI=1SC21H24N4O3Sc2618(23202422132920)1715712816(15)19(27)25(121465112814)21(17)9341021h1278131417H36912H2(H232426)
MFCD24852405
O=C(C1c2ccccc2C(=O)N(C21CCCC2)CC1CCCO1)N=c1scn(nH)1
ZINC000072400393
ZINC000072400397
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