Vitas-M small molecule compound
2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Catalog ID
STK538936
SMILES O=C(Nc1ccccc1[N+](=O)[O-])CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
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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 C25H24N6O4S2 MW 536.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N6O4S2/c32-19(28-17-7-3-4-8-18(17)31(33)34)13-36-25-22-21(26-14-27-25)20-15-5-1-2-6-16(15)23(29-24(20)37-22)30-9-11-35-12-10-30/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,28,32)InChIKey
GWHRBRNZCJPPHX-UHFFFAOYSA-NSynonyms
385417-21-02((5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)N(2nitrophenyl)acetamide
2((5morpholino1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)N(2nitrophenyl)acetamide
385417210
C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=NC=N4)SCC(=O)NC5=CC=CC=C5(N+)(=O)(O))N6CCOCC6
InChI=1SC25H24N6O4S2c3219(2817734818(17)31(33)34)1336252221(26142725)2015512616(15)23(2924(20)3722)3091135121030h347814H1256913H2(H2832)
MFCD03285978
O=C(Nc1ccccc1(N+)(=O)(O))CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
ZINC000097951417
ZINC97951417
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