Vitas-M small molecule compound
methyl 2-(butylsulfanyl)-5-(3-fluorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980897
SMILES CCCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1cccc(c1)F)C(=O)OC)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 C20H22FN3O3S MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3O3S/c1-4-5-9-28-20-23-17-16(18(25)24-20)15(12-7-6-8-13(21)10-12)14(11(2)22-17)19(26)27-3/h6-8,10,15H,4-5,9H2,1-3H3,(H2,22,23,24,25)InChIKey
QMVWZAIBPLZLQM-UHFFFAOYSA-NSynonyms
923762-47-4923762474
CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC(=CC=C3)F)C(=O)OC)C
CCCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1cccc(c1)F)C(=O)OC)C
InChI=1SC20H22FN3O3Sc14592820231716(18(25)2420)15(1276813(21)1012)14(11(2)2217)19(26)273h681015H459H213H3(H222232425)
methyl2(butylsulfanyl)5(3fluorophenyl)7methyl4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
methyl2butylsulfanyl5(3fluorophenyl)7methyl4oxo58dihydro1Hpyrido(23d)pyrimidine6carboxylate
MFCD08488658
ZINC000008132273
ZINC000008132274
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