Vitas-M small molecule compound
3-(4-butylphenyl)-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886948
SMILES CCCCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)C(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 C27H31N3OS MW 445.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3OS/c1-4-5-6-20-7-13-23(14-8-20)29-17-30-26(31)15-24(25(16-28)27(30)32-18-29)22-11-9-21(10-12-22)19(2)3/h7-14,19,24H,4-6,15,17-18H2,1-3H3InChIKey
OJMGXDYHCYMNSQ-UHFFFAOYSA-NSynonyms
3(4butylphenyl)6oxo8(4(propan2yl)phenyl)3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(4butylphenyl)6oxo8(4propan2ylphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CCCCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)C(C)C
InChI=1SC27H31N3OSc14562071323(14820)29173026(31)1524(25(1628)27(30)321829)2211921(101222)19(2)3h7141924H46151718H213H3
MFCD10087632
ZINC000012251004
ZINC000012251005
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