Vitas-M small molecule compound
2-(butylsulfanyl)-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980799
SMILES CCCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccs1)C(=O)CC(C3)(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 C21H25N3O2S2 MW 415.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S2/c1-4-5-8-28-20-23-18-17(19(26)24-20)16(14-7-6-9-27-14)15-12(22-18)10-21(2,3)11-13(15)25/h6-7,9,16H,4-5,8,10-11H2,1-3H3,(H2,22,23,24,26)InChIKey
OFCYGZMJLZDTPL-UHFFFAOYSA-NSynonyms
631855-49-72(butylsulfanyl)88dimethyl5(thiophen2yl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butylsulfanyl88dimethyl5thiophen2yl57910tetrahydro1Hpyrimido(45b)quinoline46dione
631855497
CCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CS4)C(=O)CC(C3)(C)C
CCCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccs1)C(=O)CC(C3)(C)C
InChI=1SC21H25N3O2S2c14582820231817(19(26)2420)16(147692714)1512(2218)1021(23)1113(15)25h67916H4581011H213H3(H222232426)
MFCD04444027
ZINC000005868776
ZINC000005868824
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