Vitas-M small molecule compound
3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethoxybenzyl)propanamide
Catalog ID
STK700867
SMILES C=CCn1c(SCCC(=O)NCc2ccc(cc2)OCC)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C26H31N3O4S2 MW 513.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4S2/c1-5-12-29-24(31)22-19-14-26(3,4)33-16-20(19)35-23(22)28-25(29)34-13-11-21(30)27-15-17-7-9-18(10-8-17)32-6-2/h5,7-10H,1,6,11-16H2,2-4H3,(H,27,30)InChIKey
ULAWRIVEWDUOKU-UHFFFAOYSA-NSynonyms
352657-83-13((3allyl66dimethyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)N(4ethoxybenzyl)propanamide
3((66dimethyl4oxo3(prop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)N(4ethoxybenzyl)propanamide
3((66dimethyl4oxo3prop2enyl58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)N((4ethoxyphenyl)methyl)propanamide
352657831
CCOC1=CC=C(C=C1)CNC(=O)CCSC2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2CC=C
InChI=1SC26H31N3O4S2c15122924(31)22191426(34)331620(19)3523(22)2825(29)34131121(30)2715177918(10817)3262h5710H161116H224H3(H2730)
MFCD01563397
ZINC000000984973
ZINC00984973
ZINC984973
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