Vitas-M small molecule compound

2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

Catalog ID
STK544159
SMILES COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(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 C29H29N5O4S2 MW 575.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4S2/c1-29(2)15-21-22(16-38-29)40-26-24(21)25(36)33(14-13-18-7-5-4-6-8-18)27-31-32-28(34(26)27)39-17-23(35)30-19-9-11-20(37-3)12-10-19/h4-12H,13-17H2,1-3H3,(H,30,35)
InChIKey
QDNSFXMGGPCGEG-UHFFFAOYSA-N
Synonyms

2((77dimethyl5oxo4(2phenylethyl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(4methoxyphenyl)acetamide
2((77dimethyl5oxo4phenethyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(4methoxyphenyl)acetamide
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC5=CC=C(C=C5)OC)CCC6=CC=CC=C6)C
InChI=1SC29H29N5O4S2c129(2)152122(163829)402624(21)25(36)33(1413187546818)27313228(34(26)27)391723(35)301991120(373)121019h412H1317H213H3(H3035)
MFCD03296829
ZINC000002586779
ZINC2586779

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Available files

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